data_2k2i_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 2k2i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' HZ2' ' CD ' ' A' ' 159' ' ' GLU . 7.1 tmtt? . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.631 0.253 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.05 -51.39 68.0 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.164 1.385 . . . . 0.0 111.895 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -50.64 -55.16 17.67 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.684 1.194 . . . . 0.0 112.569 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.69 -44.31 98.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.752 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.45 -47.18 87.25 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.831 -1.168 . . . . 0.0 113.312 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -33.59 63.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.344 -1.473 . . . . 0.0 111.16 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.04 75.53 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 123.963 0.905 . . . . 0.0 112.124 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -49.94 -47.3 52.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 125.245 1.418 . . . . 0.0 112.493 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -66.3 -26.63 67.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.56 -24.51 62.8 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.322 -1.486 . . . . 0.0 113.146 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -81.34 -51.65 8.13 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 121.358 -0.839 . . . . 0.0 110.781 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -75.66 77.68 2.64 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.464 1.106 . . . . 0.0 112.285 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.29 -37.36 77.51 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.487 1.915 . . . . 0.0 112.187 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -77.55 -18.3 57.07 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 125.663 1.585 . . . . 0.0 111.307 -167.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 62.59 37.58 12.95 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.275 2.23 . . . . 0.0 110.498 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -95.66 -20.2 19.11 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 121.761 0.791 . . . . 0.0 110.369 -167.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.44 12.64 55.74 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 120.479 -1.388 . . . . 0.0 110.69 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.464 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 74.4 mmtt -135.72 143.97 45.64 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.493 1.117 . . . . 0.0 108.65 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 83.3 mt -94.54 107.44 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 158.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.2 p -85.38 170.57 12.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.9 0.857 . . . . 0.0 110.753 170.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -45.54 -48.82 14.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.625 1.97 . . . . 0.0 112.759 166.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -58.82 -46.57 87.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.552 1.541 . . . . 0.0 112.107 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.961 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -52.68 62.8 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.971 1.308 . . . . 0.0 112.735 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -67.91 -31.97 72.11 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.596 -1.315 . . . . 0.0 113.54 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.76 -37.4 86.49 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.767 -1.208 . . . . 0.0 111.888 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.56 -47.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 O-C-N 120.499 -1.376 . . . . 0.0 111.875 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.7 64.46 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -77.36 -14.82 59.64 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -73.09 -44.1 60.91 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.352 -0.843 . . . . 0.0 110.854 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.37 -37.21 80.21 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.368 -0.833 . . . . 0.0 110.34 170.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.58 25.03 9.54 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.49 124.52 34.58 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -87.34 74.52 9.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 119.978 -1.701 . . . . 0.0 111.522 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.73 145.39 31.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.869 1.268 . . . . 0.0 111.699 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.407 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 28.8 p -95.41 32.79 1.7 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -168.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.34 -43.88 0.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.31 1.844 . . . . 0.0 115.353 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.81 -39.18 93.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.72 -1.238 . . . . 0.0 113.286 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 138' ' ' THR . 6.0 pm0 -74.68 -24.84 58.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 119.922 -1.736 . . . . 0.0 112.708 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.51 -43.03 98.38 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.372 -1.455 . . . . 0.0 109.531 166.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.58 -49.45 76.57 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.001 0.921 . . . . 0.0 110.675 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -50.89 -51.62 50.01 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.408 1.083 . . . . 0.0 113.129 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.1 mtm -55.87 -41.84 74.98 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.4 -40.96 56.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.378 -0.826 . . . . 0.0 110.758 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.46 -40.8 97.81 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.939 -1.1 . . . . 0.0 112.562 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -53.28 -54.7 32.46 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.354 2.262 . . . . 0.0 110.966 165.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.6 50.85 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.77 -1.206 . . . . 0.0 114.065 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.7 t70 84.29 92.75 0.03 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 160.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -95.67 1.32 53.48 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.528 -1.357 . . . . 0.0 111.342 161.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.14 -38.87 26.46 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.066 1.346 . . . . 0.0 110.22 -171.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.03 -50.94 0.1 Allowed Glycine 0 C--N 1.353 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 113.335 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.464 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 15.7 t70 -93.8 -41.73 9.49 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 118.127 0.964 . . . . 0.0 110.173 -171.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 106.45 -53.95 0.6 Allowed Glycine 0 C--N 1.351 1.377 0 O-C-N 120.799 -1.188 . . . . 0.0 110.711 171.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -114.58 -160.32 0.73 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 103.757 -2.683 . . . . 0.0 103.757 161.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 6.2 t -116.18 107.63 23.06 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 O-C-N 120.365 -1.459 . . . . 0.0 111.846 -159.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.9 p -87.81 -176.05 5.36 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.44 -2.037 . . . . 0.0 110.816 170.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.46 ' CD ' ' HZ2' ' A' ' 103' ' ' LYS . 2.7 pt-20 -66.58 -31.87 72.84 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.219 -1.55 . . . . 0.0 112.659 -174.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.67 -37.82 87.56 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.208 -0.933 . . . . 0.0 112.254 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.56 -42.11 83.14 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.24 -1.537 . . . . 0.0 110.339 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.52 -43.66 93.34 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.419 -0.8 . . . . 0.0 111.673 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.93 -45.79 82.5 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.165 -1.584 . . . . 0.0 112.022 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -57.85 -46.22 85.12 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.813 1.188 . . . . 0.0 113.57 171.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -37.48 79.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 O-C-N 120.582 -1.323 . . . . 0.0 112.318 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 95.0 mmm -73.84 -45.48 50.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.283 -1.511 . . . . 0.0 112.112 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt . . . . . 0 C--N 1.356 0.848 0 O-C-N 120.474 -1.391 . . . . 0.0 114.343 -179.781 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.548 0.69 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -57.25 -51.26 70.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.652 1.581 . . . . 0.0 110.577 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -45.47 -46.57 13.75 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 126.753 2.021 . . . . 0.0 113.317 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.08 42.22 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.224 -0.922 . . . . 0.0 112.879 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.42 -49.78 65.61 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.971 -1.08 . . . . 0.0 113.501 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 120.819 -1.176 . . . . 0.0 111.194 -174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.78 -21.68 62.46 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.921 -1.112 . . . . 0.0 113.078 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -84.14 -45.18 13.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.532 -0.73 . . . . 0.0 110.269 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.3 p -86.21 -35.86 9.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.26 1.606 0 CA-C-N 119.581 1.082 . . . . 0.0 110.771 -165.609 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -36.71 73.64 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 0.0 110.904 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -55.66 -50.41 70.3 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.98 1.712 . . . . 0.0 112.875 170.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.12 -46.21 92.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.876 -1.14 . . . . 0.0 112.668 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.6 -39.67 92.06 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.353 -1.467 . . . . 0.0 113.622 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -66.38 -42.92 87.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.037 -1.664 . . . . 0.0 112.436 171.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.97 84.95 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.896 -1.128 . . . . 0.0 112.509 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.42 -44.51 68.84 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.664 1.586 . . . . 0.0 112.878 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -18.81 57.63 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.21 -34.11 59.26 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.845 1.258 . . . . 0.0 111.06 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.32 -59.31 5.66 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 121.11 -0.993 . . . . 0.0 112.723 164.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -88.25 91.14 8.67 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.837 -1.164 . . . . 0.0 114.003 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.54 -26.05 66.96 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.749 -1.219 . . . . 0.0 112.735 170.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -87.16 -18.91 29.28 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.255 0.622 . . . . 0.0 110.082 -158.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 66.87 49.46 1.19 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 122.939 1.352 . . . . 0.0 111.561 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -32.74 25.77 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.94 68.99 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -143.68 146.38 33.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 88.6 mt -90.92 101.5 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 O-C-N 120.045 -1.66 . . . . 0.0 108.401 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 p -80.97 174.33 11.73 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.755 -1.216 . . . . 0.0 110.241 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -49.35 -42.63 42.4 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.489 1.915 . . . . 0.0 111.809 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -62.9 -41.35 99.41 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.571 1.548 . . . . 0.0 112.004 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -75.58 -40.77 56.1 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 127.001 2.12 . . . . 0.0 109.07 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -43.81 87.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.604 -1.31 . . . . 0.0 112.978 171.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -61.16 -30.37 70.35 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -56.08 -52.07 65.62 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.758 -1.214 . . . . 0.0 111.337 172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.19 -40.76 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.821 0.848 . . . . 0.0 111.137 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.85 75.55 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 171.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -63.0 -53.34 55.45 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 123.849 0.859 . . . . 0.0 112.679 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.2 -30.62 67.77 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.83 -40.63 28.11 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 167.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.7 64.67 1.25 Allowed Glycine 0 C--N 1.352 1.449 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.28 167.35 22.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.32 -17.26 32.83 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 112.275 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.87 179.03 7.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.658 1.183 . . . . 0.0 111.107 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 m -104.87 -73.14 0.69 Allowed 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 120.226 -1.546 . . . . 0.0 108.088 -169.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -150.23 2.07 0.48 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.239 2.215 . . . . 0.0 110.353 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -66.0 -47.05 75.79 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 126.64 1.976 . . . . 0.0 108.117 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -30.04 -63.0 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 129.827 3.251 . . . . 0.0 114.023 172.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -69.93 -45.69 66.98 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 121.952 -0.467 . . . . 0.0 110.027 -173.013 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.49 -45.64 93.01 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.807 -0.558 . . . . 0.0 112.002 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -51.93 67.68 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 125.222 1.409 . . . . 0.0 111.307 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.0 mtm -59.05 -43.9 91.73 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -57.04 -54.09 34.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 C-N-CA 124.35 1.06 . . . . 0.0 111.053 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.57 -36.87 85.63 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.274 1.03 . . . . 0.0 112.347 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.915 -1.116 . . . . 0.0 112.033 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.8 -52.96 10.06 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -78.95 101.13 7.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.063 1.411 . . . . 0.0 110.678 -171.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -97.91 -26.83 14.53 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.524 -171.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.24 -31.91 21.43 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.148 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.33 74.38 1.16 Allowed Glycine 0 C--N 1.358 1.796 0 CA-C-N 120.121 1.328 . . . . 0.0 112.618 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.36 -54.38 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.63 -44.74 1.26 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -102.07 150.51 23.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 123.213 1.482 . . . . 0.0 107.848 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.3 104.8 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 O-C-N 120.033 -1.667 . . . . 0.0 108.165 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 80.9 p -69.32 175.68 3.81 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.311 1.053 . . . . 0.0 112.913 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -55.39 24.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 126.64 1.976 . . . . 0.0 110.712 172.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.29 -50.81 58.59 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 113.858 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.74 -36.98 83.72 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.734 -1.228 . . . . 0.0 112.471 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -65.41 -44.48 87.3 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.953 -1.092 . . . . 0.0 112.116 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.59 -42.02 98.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.153 -1.592 . . . . 0.0 111.973 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -60.77 -46.04 92.02 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 113.322 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -41.22 90.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 120.582 -1.324 . . . . 0.0 112.035 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.9 -42.4 66.8 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.199 -1.563 . . . . 0.0 113.045 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 C--N 1.352 0.69 0 O-C-N 120.399 -1.438 . . . . 0.0 113.282 -179.843 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 25.2 tp . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -61.38 -24.23 66.34 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.24 -1.537 . . . . 0.0 112.718 170.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -51.18 46.55 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.51 1.524 . . . . 0.0 111.83 166.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.18 36.73 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 121.512 -0.742 . . . . 0.0 110.646 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.3 -54.18 23.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 121.184 -0.948 . . . . 0.0 113.188 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -82.27 -28.18 31.94 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 120.464 -1.398 . . . . 0.0 111.799 -165.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.21 -4.58 57.36 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.673 0.669 . . . . 0.0 111.893 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -88.4 -45.72 9.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.259 -0.901 . . . . 0.0 108.887 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.3 p -72.93 -37.1 53.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 120.585 -1.322 . . . . 0.0 114.005 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.261 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 178.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' A' ' 108' ' ' LYS . 3.3 tp10 -60.49 -50.63 72.81 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.438 1.095 . . . . 0.0 110.607 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' CD ' HH11 ' B' ' 653' ' ' ARG . 27.4 tt0 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.52 -1.363 . . . . 0.0 113.38 173.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.69 -47.46 91.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.417 -1.427 . . . . 0.0 111.378 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.65 -42.77 97.65 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.746 -1.221 . . . . 0.0 112.186 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HZ2' ' CD ' ' A' ' 104' ' ' GLU . 12.7 mptt -63.76 -43.14 97.3 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.025 -1.672 . . . . 0.0 113.005 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.99 93.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.65 1.58 . . . . 0.0 112.932 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -53.65 -43.01 68.45 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 125.184 1.394 . . . . 0.0 111.561 170.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU . 3.5 ttpt -78.14 -12.95 60.03 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.06 -37.7 33.36 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.012 -1.68 . . . . 0.0 109.866 169.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -59.14 -60.92 3.1 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.518 0.727 . . . . 0.0 112.785 163.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -68.12 93.69 0.46 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.43 -39.86 73.78 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 127.435 2.294 . . . . 0.0 114.762 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -87.76 -21.9 24.87 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.617 1.167 . . . . 0.0 109.397 -171.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.54 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 18.4 mt-10 69.91 42.7 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.993 2.117 . . . . 0.0 108.921 -171.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.76 -35.78 15.53 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.913 1.285 . . . . 0.0 110.608 -165.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.59 28.04 3.11 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 124.598 1.094 . . . . 0.0 111.427 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.451 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 68.0 mttt -154.13 145.45 22.99 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.287 1.041 . . . . 0.0 110.785 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.0 mt -95.06 100.3 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.0 t -86.9 172.5 10.01 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 120.683 -1.26 . . . . 0.0 110.301 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.04 -40.97 70.81 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 125.556 1.542 . . . . 0.0 111.031 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -51.76 55.73 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 128.4 2.68 . . . . 0.0 111.486 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -70.07 -41.39 74.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 126.332 1.853 . . . . 0.0 111.363 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -53.35 58.68 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.407 1.483 . . . . 0.0 111.361 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -66.22 -34.12 77.29 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.584 0.754 . . . . 0.0 112.879 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.481 ' HE ' ' CD ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -56.92 -51.91 67.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 121.019 -1.051 . . . . 0.0 112.498 171.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.8 -41.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 120.085 -1.634 . . . . 0.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.6 -44.67 66.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 170.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -83.03 1.56 39.42 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.481 ' CD ' ' HE ' ' A' ' 128' ' ' ARG . 18.3 mm-40 -82.55 -47.08 12.56 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 119.915 -1.741 . . . . 0.0 109.338 163.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.47 -43.11 73.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.329 0.652 . . . . 0.0 112.165 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 26.85 8.14 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -87.79 115.9 25.57 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.815 0.817 . . . . 0.0 109.29 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -79.32 53.69 1.55 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -171.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.67 147.61 27.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.851 1.31 . . . . 0.0 111.424 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.3 m -83.82 153.7 23.91 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.213 1.405 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.59 -39.59 50.22 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.885 1.674 . . . . 0.0 115.381 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.73 -42.49 75.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.037 1.735 . . . . 0.0 112.983 171.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.69 -36.84 70.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.132 1.373 . . . . 0.0 111.121 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -40.89 94.62 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.723 -1.235 . . . . 0.0 110.934 171.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -66.68 -41.31 88.28 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.37 -0.831 . . . . 0.0 112.44 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.27 -48.82 54.71 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.89 1.276 . . . . 0.0 112.398 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.8 mtm -55.32 -49.18 72.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.92 -53.97 35.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 121.421 -0.799 . . . . 0.0 111.836 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.161 1.385 . . . . 0.0 112.297 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.75 -46.63 89.68 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.472 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.56 -47.63 31.51 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 121.295 -0.878 . . . . 0.0 112.43 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -76.81 68.79 3.07 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 124.202 1.953 . . . . 0.0 111.976 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -63.01 -30.23 71.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.75 2.02 . . . . 0.0 113.195 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.48 -24.66 16.55 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 118.679 -0.677 . . . . 0.0 112.786 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.33 54.2 1.03 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 120.526 1.512 . . . . 0.0 114.246 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.451 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 33.0 t70 -85.78 -27.35 25.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.132 1.373 . . . . 0.0 109.358 169.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 99.59 0.02 56.69 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 120.466 -1.396 . . . . 0.0 110.898 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -170.05 172.5 6.43 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 103.471 -2.788 . . . . 0.0 103.471 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.6 t -117.9 114.98 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 CA-C-O 122.201 1.0 . . . . 0.0 110.943 -156.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.7 t -83.78 179.98 7.44 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.184 0.992 . . . . 0.0 110.948 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.97 -49.76 74.79 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.791 1.636 . . . . 0.0 112.048 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.78 -41.18 70.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.54 1.536 . . . . 0.0 113.005 171.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.18 -39.1 82.6 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.635 -1.291 . . . . 0.0 111.295 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.03 -42.53 89.46 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.97 -1.081 . . . . 0.0 111.989 173.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.65 -37.11 86.46 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.41 -1.431 . . . . 0.0 113.244 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -57.75 -51.61 68.85 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.798 1.239 . . . . 0.0 112.755 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.77 76.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 120.646 -1.284 . . . . 0.0 112.228 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 17.9 mmt -66.06 -25.69 67.15 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.142 -2.224 . . . . 0.0 113.579 170.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--N 1.353 0.753 0 O-C-N 120.654 -1.279 . . . . 0.0 112.574 169.295 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.513 -0.478 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -46.73 -47.01 20.7 Favored 'General case' 0 CA--C 1.503 -0.863 0 C-N-CA 126.407 1.883 . . . . 0.0 111.6 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.443 HH11 ' CD ' ' A' ' 105' ' ' GLU . 97.1 mtt180 -6.63 -70.27 0.0 OUTLIER 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.081 3.352 . . . . 0.0 115.894 152.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.37 -24.85 36.77 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 124.223 1.009 . . . . 0.0 111.507 -168.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 15.7 tp -83.87 -45.48 13.19 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 121.616 0.722 . . . . 0.0 111.066 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.68 -47.1 82.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.468 1.507 . . . . 0.0 111.504 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -80.74 -0.06 36.82 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 121.141 -0.974 . . . . 0.0 112.396 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -82.67 -58.55 2.85 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.325 -1.484 . . . . 0.0 108.127 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.96 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.265 1.878 0 CA-C-O 116.427 -1.749 . . . . 0.0 110.945 176.148 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 118.938 -0.553 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -51.79 68.47 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.209 1.368 . . . . 0.0 111.744 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.01 -46.25 91.51 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.886 1.275 . . . . 0.0 110.985 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.3 mm -69.02 -41.78 81.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 113.328 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.36 -41.48 85.02 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.758 -1.839 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -58.86 -48.77 80.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.697 -1.252 . . . . 0.0 111.589 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.83 86.92 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 113.762 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.82 -47.64 70.69 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.711 1.604 . . . . 0.0 112.09 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -78.17 -18.73 55.17 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.25 -34.78 78.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.378 -1.451 . . . . 0.0 112.554 162.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.88 -54.8 16.08 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.802 -1.186 . . . . 0.0 112.824 163.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.97 70.49 0.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.985 1.714 . . . . 0.0 113.69 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.16 -45.48 75.71 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 127.138 2.175 . . . . 0.0 113.782 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -7.45 59.48 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.047 1.339 . . . . 0.0 111.596 -163.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 64.1 60.18 1.01 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.318 1.447 . . . . 0.0 112.729 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 t -111.8 -22.34 11.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.301 -0.875 . . . . 0.0 110.126 173.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.72 28.93 44.94 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 119.046 0.839 . . . . 0.0 111.407 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -147.53 147.23 29.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 64.9 mt -96.64 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 CA-C-O 122.2 1.0 . . . . 0.0 108.89 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.2 p -78.69 167.29 21.44 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 122.433 1.111 . . . . 0.0 112.641 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -57.33 -40.86 78.87 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.009 1.724 . . . . 0.0 110.507 170.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.04 -47.69 84.3 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.496 1.918 . . . . 0.0 111.796 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.53 -46.81 87.79 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.5 1.12 . . . . 0.0 112.088 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -50.52 55.21 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.218 1.407 . . . . 0.0 112.594 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -75.44 -17.08 60.26 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -65.27 -52.4 54.59 Favored 'General case' 0 C--N 1.363 1.178 0 O-C-N 120.298 -1.502 . . . . 0.0 109.419 163.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.9 t -57.06 -45.03 83.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.027 0.931 . . . . 0.0 111.946 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.74 -47.43 64.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 172.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -23.99 58.44 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.765 -1.21 . . . . 0.0 113.384 177.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -68.04 -44.11 77.17 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 121.254 -0.904 . . . . 0.0 112.374 173.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.83 -39.78 63.8 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 121.033 -1.042 . . . . 0.0 111.143 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.06 41.97 1.86 Allowed Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -82.71 120.1 25.16 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.906 0.86 . . . . 0.0 111.539 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 58.83 5.27 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.705 -1.247 . . . . 0.0 109.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 164.43 12.25 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.292 1.037 . . . . 0.0 112.025 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.1 p -90.24 164.47 14.38 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.024 -1.047 . . . . 0.0 110.836 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -60.01 0.95 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 129.487 3.115 . . . . 0.0 114.351 168.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.33 -36.02 30.29 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.843 2.057 . . . . 0.0 115.439 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.099 -1.625 . . . . 0.0 112.184 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.77 -43.11 89.84 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.674 -1.266 . . . . 0.0 110.517 171.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -48.49 79.89 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.092 1.757 . . . . 0.0 111.943 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -49.5 -53.25 24.31 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 127.228 2.211 . . . . 0.0 111.77 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 mtm -57.46 -37.82 73.48 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.91 -51.42 55.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.286 -1.509 . . . . 0.0 111.683 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.35 -36.85 79.86 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.854 0.862 . . . . 0.0 111.609 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.89 -55.49 31.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.959 1.703 . . . . 0.0 112.47 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.21 -51.33 12.3 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -165.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.06 59.43 3.26 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -159.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -66.53 -49.17 67.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.534 1.534 . . . . 0.0 114.282 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -114.74 26.04 10.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.069 -1.019 . . . . 0.0 108.559 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.28 -107.32 2.5 Favored Glycine 0 C--N 1.358 1.793 0 O-C-N 121.452 -0.78 . . . . 0.0 114.651 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.73 -41.46 0.44 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.616 1.166 . . . . 0.0 109.667 -164.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.73 -31.45 1.89 Allowed Glycine 0 C--N 1.354 1.53 0 O-C-N 120.545 -1.347 . . . . 0.0 109.908 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -133.77 154.15 51.2 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 9.2 t -78.2 113.45 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 CA-C-O 121.369 0.604 . . . . 0.0 112.46 -142.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 163.18 22.39 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.54 -0.725 . . . . 0.0 111.393 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.334 -1.479 . . . . 0.0 113.656 -170.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.61 -41.02 84.92 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.519 1.128 . . . . 0.0 110.667 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.85 -42.41 24.34 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 125.023 1.329 . . . . 0.0 109.616 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -59.15 -48.08 82.93 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.731 -0.605 . . . . 0.0 111.864 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.02 -28.03 62.11 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.023 -1.673 . . . . 0.0 113.288 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -58.65 -52.82 64.05 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.135 1.334 . . . . 0.0 112.58 171.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.55 -32.86 60.07 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 121.478 -0.764 . . . . 0.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.5 mmt -72.36 -43.46 63.99 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.336 -0.853 . . . . 0.0 112.362 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--N 1.358 0.948 0 C-N-CA 126.307 1.843 . . . . 0.0 113.806 179.049 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 122.237 1.017 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -41.72 99.51 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 126.116 1.766 . . . . 0.0 110.664 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -44.64 -60.32 2.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.392 1.877 . . . . 0.0 112.623 165.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.37 96.16 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.126 1.37 . . . . 0.0 112.54 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.99 -49.75 66.73 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 112.272 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -72.97 -32.76 65.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.63 -1.294 . . . . 0.0 113.507 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.23 61.13 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.512 -1.367 . . . . 0.0 112.545 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -86.73 -56.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 123.782 0.833 . . . . 0.0 110.024 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.33 -29.75 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 120.846 -1.159 . . . . 0.0 110.731 -168.506 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.234 0.248 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.41 -15.4 57.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 121.051 -1.031 . . . . 0.0 110.789 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.47 -32.71 74.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.575 -1.328 . . . . 0.0 112.721 164.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mt -63.24 -41.81 94.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 119.666 -1.896 . . . . 0.0 110.504 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.83 -45.51 92.25 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.686 -1.258 . . . . 0.0 113.249 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -50.97 -53.02 36.81 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.66 1.984 . . . . 0.0 111.806 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.19 97.02 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.349 1.459 . . . . 0.0 112.555 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.76 -44.76 77.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.462 1.105 . . . . 0.0 112.347 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -77.37 -26.97 52.39 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.654 -1.279 . . . . 0.0 114.365 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.47 -35.16 79.54 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.579 -1.951 . . . . 0.0 111.527 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.45 -61.46 2.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 158.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -71.47 68.37 0.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.603 1.561 . . . . 0.0 114.814 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.65 -32.02 67.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 129.381 3.072 . . . . 0.0 110.134 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.427 ' CG ' ' HZ3' ' A' ' 124' ' ' LYS . 15.9 t70 -74.23 -17.32 60.9 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.297 1.839 . . . . 0.0 111.213 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 58.34 41.0 23.85 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.53 2.332 . . . . 0.0 113.383 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -97.76 -11.15 23.72 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.07 -1.019 . . . . 0.0 112.263 -172.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.74 25.29 53.74 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 120.696 -1.253 . . . . 0.0 110.914 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -152.22 148.25 27.35 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 65.5 mt -84.05 91.86 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 160.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -64.37 159.72 20.57 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.386 1.874 . . . . 0.0 111.745 170.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -56.25 -35.71 67.72 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.367 1.467 . . . . 0.0 110.99 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.427 ' HZ3' ' CG ' ' A' ' 116' ' ' ASP . 43.6 mtmt -59.87 -52.37 65.72 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.91 1.284 . . . . 0.0 112.01 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.78 -43.29 99.14 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.165 1.786 . . . . 0.0 111.37 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -54.24 48.1 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.509 1.523 . . . . 0.0 112.078 173.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -27.7 64.24 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.75 -1.219 . . . . 0.0 114.176 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -57.21 -51.0 71.1 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.081 1.353 . . . . 0.0 111.78 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.51 -45.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 121.303 -0.873 . . . . 0.0 112.164 175.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -34.98 60.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -60.94 -55.4 33.41 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 121.256 -0.903 . . . . 0.0 111.579 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.22 -10.9 59.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 112.628 -165.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.46 -33.46 75.75 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.218 -0.926 . . . . 0.0 112.507 159.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.96 38.97 10.62 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 136' ' ' ASN . 2.0 tm-20 -90.05 -176.92 5.04 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.096 1.427 . . . . 0.0 113.546 -172.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.535 ' H ' ' CD ' ' A' ' 135' ' ' GLU . 48.1 m-80 -123.7 -38.46 2.51 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.458 2.703 . . . . 0.0 108.767 -164.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 148.05 23.2 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 21.9 p -101.67 -175.35 2.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 111.98 -167.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -66.62 -30.6 70.91 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -166.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.88 -42.85 69.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.337 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.13 -45.98 83.04 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.716 -1.24 . . . . 0.0 111.886 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.18 -38.06 82.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.058 1.343 . . . . 0.0 113.305 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -46.93 83.22 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.144 1.378 . . . . 0.0 111.502 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.67 -30.58 71.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.716 -1.24 . . . . 0.0 112.561 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mtt -55.58 -46.27 77.25 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 120.776 -1.203 . . . . 0.0 113.801 166.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.13 -49.55 81.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 124.606 1.162 . . . . 0.0 111.329 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -55.23 -53.24 58.55 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.474 1.11 . . . . 0.0 111.497 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -71.83 -22.5 61.54 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.658 -1.276 . . . . 0.0 113.646 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.51 -58.31 3.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.376 -1.452 . . . . 0.0 112.368 166.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -88.03 75.33 8.76 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.722 -1.236 . . . . 0.0 110.106 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -65.02 -33.47 76.11 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.78 -41.1 38.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.829 1.251 . . . . 0.0 110.674 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.53 73.31 1.1 Allowed Glycine 0 C--N 1.353 1.48 0 O-C-N 121.592 -0.692 . . . . 0.0 112.526 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -85.08 -43.87 13.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 162.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 139.91 -40.29 1.42 Allowed Glycine 0 CA--C 1.487 -1.708 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 170.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -127.44 158.78 36.43 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.407 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 44.9 t -87.92 113.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 O-C-N 120.944 -1.097 . . . . 0.0 111.281 -159.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.36 176.21 9.55 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.665 -1.272 . . . . 0.0 112.32 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -54.21 42.23 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.959 1.304 . . . . 0.0 111.705 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -43.11 -46.7 5.89 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 126.011 1.725 . . . . 0.0 114.96 163.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.19 -39.63 78.56 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.059 -1.651 . . . . 0.0 111.69 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -61.85 -47.08 86.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.36 -0.837 . . . . 0.0 111.48 171.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.94 -48.05 76.45 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.525 1.13 . . . . 0.0 112.175 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.59 -52.61 63.19 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.933 1.293 . . . . 0.0 113.894 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.82 -38.95 83.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 O-C-N 121.042 -1.036 . . . . 0.0 112.679 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 94.3 mmm -68.29 -38.66 81.89 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 121.253 -0.905 . . . . 0.0 112.075 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 C--N 1.358 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 178.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 N--CA 1.439 -0.991 0 CA-C-O 121.544 0.688 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -52.37 -38.71 59.51 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.663 1.585 . . . . 0.0 112.737 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -36.58 -50.6 0.81 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.354 2.662 . . . . 0.0 114.656 166.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.35 -45.2 26.83 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.523 -0.736 . . . . 0.0 111.459 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.32 -36.55 58.23 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.213 -0.93 . . . . 0.0 112.849 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.91 -42.68 66.44 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.315 -1.491 . . . . 0.0 110.993 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.67 -18.74 65.53 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.364 -1.46 . . . . 0.0 113.44 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.16 -59.07 3.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.299 1.44 . . . . 0.0 111.158 166.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.26 -19.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.266 1.967 0 O-C-N 119.664 -1.897 . . . . 0.0 112.317 -169.478 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 C--O 1.234 0.255 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -34.79 72.4 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 120.981 -1.074 . . . . 0.0 109.832 172.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.11 -45.31 91.23 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.119 0.568 . . . . 0.0 112.517 169.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.78 -45.82 97.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.553 -1.342 . . . . 0.0 111.414 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.93 -45.46 90.32 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.668 -1.27 . . . . 0.0 112.279 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.63 -47.1 86.92 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.26 1.424 . . . . 0.0 112.466 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.69 73.51 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.998 2.119 . . . . 0.0 112.799 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -54.87 -46.54 74.73 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.298 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -71.31 -33.78 69.98 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.78 -35.61 81.18 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.555 -1.34 . . . . 0.0 112.288 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.69 -58.77 5.37 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 121.098 -1.001 . . . . 0.0 112.912 163.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -71.47 81.65 0.79 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 123.39 1.567 . . . . 0.0 112.609 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -47.11 -40.32 15.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 131.577 3.951 . . . . 0.0 112.819 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' A' ' 124' ' ' LYS . 12.8 m-20 -85.4 -36.68 20.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.586 1.155 . . . . 0.0 110.84 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.25 45.5 mt-10 74.19 47.17 0.15 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.958 2.103 . . . . 0.0 110.027 -172.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 t -88.94 -16.31 32.13 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.752 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.57 24.38 12.34 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 124.678 1.132 . . . . 0.0 110.529 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -153.22 143.33 22.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 122.2 1.0 . . . . 0.0 109.245 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.18 89.16 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 120.236 -1.54 . . . . 0.0 107.906 166.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -68.37 167.99 13.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 112.142 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.8 -41.5 95.76 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.672 1.589 . . . . 0.0 111.264 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' A' ' 116' ' ' ASP . 28.0 ttpp -56.17 -45.48 79.69 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 111.941 170.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.89 -34.22 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.85 1.26 . . . . 0.0 110.136 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -57.67 11.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.365 1.466 . . . . 0.0 112.289 164.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.436 ' HZ3' ' CG ' ' A' ' 139' ' ' ASP . 1.5 ptmm? -71.13 -23.28 62.05 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -176.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -56.99 -58.08 9.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.211 1.804 . . . . 0.0 110.866 166.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.93 -40.48 62.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 C-N-CA 125.01 1.324 . . . . 0.0 113.045 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.27 -49.83 52.09 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.926 0.89 . . . . 0.0 112.905 170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.28 -37.13 69.1 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.429 -1.42 . . . . 0.0 113.837 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.44 -42.47 96.15 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.777 1.171 . . . . 0.0 112.258 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.86 -44.83 54.26 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.402 -0.812 . . . . 0.0 111.832 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.29 -2.23 22.28 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 121.57 -0.706 . . . . 0.0 111.398 -176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.14 97.53 1.96 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.92 1.688 . . . . 0.0 109.609 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -91.28 75.28 6.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.93 -1.731 . . . . 0.0 111.082 -173.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mp -81.47 160.27 24.01 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.525 0.73 . . . . 0.0 110.915 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.47 162.98 20.77 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.422 1.089 . . . . 0.0 109.437 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.436 ' CG ' ' HZ3' ' A' ' 127' ' ' LYS . 1.6 m-20 -68.2 -34.35 76.1 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.066 -1.646 . . . . 0.0 111.217 -171.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.21 -53.06 23.16 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 127.687 2.395 . . . . 0.0 113.415 165.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.75 -42.13 86.71 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 111.229 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.1 mt -59.63 -41.02 89.52 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.654 1.182 . . . . 0.0 111.967 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -66.49 -42.49 87.35 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.714 1.205 . . . . 0.0 111.859 172.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -57.33 -40.32 77.72 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.754 -1.216 . . . . 0.0 112.938 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.6 mtm -56.47 -48.53 76.91 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.468 -1.395 . . . . 0.0 113.673 167.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.0 mm -55.84 -46.73 80.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.484 -1.385 . . . . 0.0 112.027 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -44.06 93.9 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.544 1.538 . . . . 0.0 113.715 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -53.88 -43.56 69.71 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.283 1.433 . . . . 0.0 112.486 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.95 -51.1 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -82.67 71.64 9.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.745 1.736 . . . . 0.0 109.651 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.54 -8.37 59.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.602 1.161 . . . . 0.0 112.09 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.29 -44.36 12.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.006 0.923 . . . . 0.0 109.225 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.4 47.35 0.87 Allowed Glycine 0 C--N 1.359 1.821 0 O-C-N 120.768 -1.208 . . . . 0.0 113.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.71 -54.35 4.3 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 119.18 11.24 7.6 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 125.117 1.342 . . . . 0.0 110.958 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -155.98 125.57 6.34 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -169.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.22 127.07 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 O-C-N 120.719 -1.238 . . . . 0.0 112.087 -155.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.6 p -72.73 173.25 9.33 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.956 1.302 . . . . 0.0 112.597 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -46.53 76.51 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.684 -1.26 . . . . 0.0 109.535 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.57 -32.18 64.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.807 0.843 . . . . 0.0 112.863 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -37.01 76.09 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.306 -1.496 . . . . 0.0 110.617 174.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -59.96 -51.14 70.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.427 0.691 . . . . 0.0 111.46 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.09 -42.42 80.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.68 -1.262 . . . . 0.0 113.793 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.59 -53.39 55.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.794 1.238 . . . . 0.0 112.117 171.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.303 2.4 pp -68.1 -36.28 74.77 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 119.925 1.239 . . . . 0.0 114.02 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 96.1 mmm -67.97 -34.25 76.21 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 121.151 -0.968 . . . . 0.0 111.815 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttm . . . . . 0 C--N 1.351 0.66 0 O-C-N 120.949 -1.094 . . . . 0.0 112.036 171.308 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.74 -50.62 3.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.164 1.785 . . . . 0.0 114.481 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -35.24 -53.08 0.62 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 128.378 2.671 . . . . 0.0 115.067 167.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.45 72.38 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 124.87 1.268 . . . . 0.0 111.259 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 16.4 tp -72.85 -47.43 46.22 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.159 -0.963 . . . . 0.0 111.011 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.58 -38.33 83.89 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.201 1.0 . . . . 0.0 113.555 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.95 -5.93 59.27 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 122.497 1.142 . . . . 0.0 112.377 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -86.41 -42.39 13.67 Favored 'General case' 0 N--CA 1.435 -1.205 0 O-C-N 120.177 -1.577 . . . . 0.0 109.337 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.33 -39.06 27.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.877 -1.139 . . . . 0.0 112.933 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.261 1.698 0 CA-C-O 117.628 -1.177 . . . . 0.0 109.94 -175.164 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 CA--C 1.521 -0.157 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.41 -38.85 78.1 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.335 1.054 . . . . 0.0 110.648 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' CD ' HH21 ' B' ' 653' ' ' ARG . 5.8 tt0 -56.77 -47.55 79.89 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.87 0.868 . . . . 0.0 111.795 167.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -63.49 -43.86 98.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 O-C-N 121.233 -0.917 . . . . 0.0 111.907 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.82 -40.72 96.26 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.079 -1.638 . . . . 0.0 112.57 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.38 -43.02 95.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.612 -1.305 . . . . 0.0 112.278 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.34 89.42 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.686 1.194 . . . . 0.0 112.502 172.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.77 -44.99 86.55 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.5 1.12 . . . . 0.0 112.12 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.409 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU . 3.2 mmpt? -68.57 -35.42 77.36 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.13 -27.78 68.97 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.648 -1.282 . . . . 0.0 112.745 172.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -73.16 -69.6 0.41 Allowed 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.097 -1.002 . . . . 0.0 112.092 157.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.79 68.98 3.09 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.311 -1.493 . . . . 0.0 111.796 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' CG ' HH21 ' A' ' 128' ' ' ARG . 2.9 p30 -88.92 -7.28 56.37 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.728 -1.232 . . . . 0.0 111.184 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -82.81 -8.86 59.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.675 1.99 . . . . 0.0 109.941 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 81.1 mm-40 58.25 50.21 10.06 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.602 1.961 . . . . 0.0 113.186 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.7 t -102.98 -6.44 22.39 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.352 -0.842 . . . . 0.0 110.015 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.43 13.57 75.96 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 118.828 0.74 . . . . 0.0 111.752 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.532 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 47.3 mttm -148.67 154.52 39.78 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.22 105.91 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 169.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -84.68 156.18 21.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.973 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 122.6 1.19 . . . . 0.0 109.123 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -51.9 -55.56 19.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.719 2.408 . . . . 0.0 110.493 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.26 -26.54 42.38 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 121.455 -0.778 . . . . 0.0 112.926 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -49.49 68.11 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.824 -1.798 . . . . 0.0 111.504 167.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.425 ' HZ3' ' CG ' ' A' ' 139' ' ' ASP . 53.6 tttt -64.03 -39.52 94.28 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.703 1.201 . . . . 0.0 113.718 174.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.401 HH21 ' CG ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.623 1.169 . . . . 0.0 112.507 172.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.6 -46.38 79.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 126.203 1.801 . . . . 0.0 111.266 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.91 44.08 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.04 -31.02 62.71 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.075 -1.016 . . . . 0.0 113.134 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.96 67.12 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.153 -0.967 . . . . 0.0 112.667 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.89 -38.44 76.33 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 120.537 -1.352 . . . . 0.0 109.879 164.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.09 38.28 3.62 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.38 173.7 7.77 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 123.397 1.57 . . . . 0.0 111.814 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -92.03 -75.16 0.49 Allowed 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.793 2.037 . . . . 0.0 107.509 -174.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.21 -138.6 0.99 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.76 1.624 . . . . 0.0 112.342 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.42 -158.7 0.12 Allowed 'General case' 0 CA--C 1.511 -0.556 1 N-CA-C 99.512 -4.255 . . . . 0.0 99.512 175.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' A' ' 127' ' ' LYS . 2.0 m-20 -94.02 -38.57 11.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.884 2.129 . . . . 0.0 107.861 170.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -48.35 -50.26 31.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 129.635 3.174 . . . . 0.0 112.671 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.59 -43.23 71.97 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 113.997 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.5 -43.09 81.72 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.71 -1.244 . . . . 0.0 109.988 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -40.02 95.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.709 1.603 . . . . 0.0 112.006 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -54.11 -49.73 68.46 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.362 1.865 . . . . 0.0 112.18 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.46 -43.53 79.65 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.603 -1.31 . . . . 0.0 113.588 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.83 -52.09 64.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 120.717 -1.24 . . . . 0.0 112.261 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -35.4 80.31 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.815 1.246 . . . . 0.0 112.74 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.63 -58.41 8.46 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.854 -1.154 . . . . 0.0 111.529 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.06 35.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -166.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -74.9 72.18 2.07 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 123.982 1.849 . . . . 0.0 112.612 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -88.76 -6.47 57.39 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.132 1.373 . . . . 0.0 110.797 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.69 -43.45 97.71 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.895 1.278 . . . . 0.0 110.636 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.33 39.46 4.23 Favored Glycine 0 C--N 1.359 1.821 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.532 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 4.8 t70 -107.55 -73.96 0.67 Allowed 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.761 1.625 . . . . 0.0 109.62 -168.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 147.34 -44.84 0.79 Allowed Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -126.12 139.93 52.98 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 122.946 1.355 . . . . 0.0 111.675 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.3 t -81.15 130.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-O 122.582 1.182 . . . . 0.0 112.808 -147.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 84.1 p -76.18 162.3 28.09 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 123.63 1.681 . . . . 0.0 115.066 -170.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.55 -50.65 72.69 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 128.236 2.614 . . . . 0.0 109.67 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -57.03 -47.3 81.22 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.774 1.23 . . . . 0.0 112.915 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.0 -28.93 55.25 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.007 1.276 . . . . 0.0 112.824 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.34 -48.62 79.0 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.23 -0.919 . . . . 0.0 111.65 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.99 -39.37 89.4 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.089 -1.007 . . . . 0.0 111.058 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -57.73 -54.67 44.31 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.067 0.947 . . . . 0.0 113.527 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.89 -36.26 74.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 120.346 1.43 . . . . 0.0 113.204 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 1.4 mmt -73.02 -33.7 65.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.118 -0.989 . . . . 0.0 111.581 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--N 1.353 0.734 0 O-C-N 120.943 -1.098 . . . . 0.0 112.807 170.507 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.633 0.73 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -67.03 -26.76 66.93 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.161 -1.587 . . . . 0.0 112.23 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.403 HH21 ' CD ' ' A' ' 105' ' ' GLU . 8.9 tpt180 -41.17 -56.13 2.45 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.75 2.42 . . . . 0.0 112.801 161.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.93 -46.19 25.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 121.339 -0.85 . . . . 0.0 111.455 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.73 -48.65 79.74 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.86 -34.11 62.21 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.869 -1.144 . . . . 0.0 111.674 -173.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.99 -22.81 63.1 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 121.326 0.584 . . . . 0.0 112.278 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -78.96 -52.67 7.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 123.937 0.895 . . . . 0.0 110.796 173.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.88 -34.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.261 1.702 0 O-C-N 120.993 -1.067 . . . . 0.0 112.995 -157.239 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -73.19 -34.88 66.23 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.331 -0.856 . . . . 0.0 111.049 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -54.13 -42.29 69.33 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.981 2.112 . . . . 0.0 113.563 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.96 -44.56 97.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 120.319 -1.488 . . . . 0.0 111.494 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -38.6 78.54 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.73 -1.231 . . . . 0.0 111.992 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -57.87 -49.62 76.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 126.407 1.883 . . . . 0.0 111.655 169.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.13 80.51 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.525 1.13 . . . . 0.0 112.336 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -51.56 -49.82 61.28 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.072 1.349 . . . . 0.0 113.149 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 8.8 tttt -69.39 -23.36 63.71 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.731 1.212 . . . . 0.0 113.962 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.28 -19.94 45.56 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.166 -1.584 . . . . 0.0 113.235 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.04 -58.84 3.03 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.36 -1.462 . . . . 0.0 108.55 162.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 118' ' ' THR . 54.2 t0 -91.57 92.14 8.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.13 -0.981 . . . . 0.0 111.811 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.81 -27.9 55.37 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.918 0.487 . . . . 0.0 112.057 166.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.21 -52.21 13.1 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.23 1.012 . . . . 0.0 111.204 -162.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -103.51 -47.36 4.29 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 123.105 1.431 . . . . 0.0 107.677 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.436 ' H ' ' CG ' ' A' ' 114' ' ' ASP 0.311 18.8 p 80.48 38.69 0.09 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 127.731 2.412 . . . . 0.0 109.475 -174.276 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.3 -19.41 0.04 OUTLIER Glycine 0 C--N 1.349 1.254 0 C-N-CA 125.156 1.36 . . . . 0.0 114.123 -168.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 45.0 mttt -144.19 131.46 20.77 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.832 1.816 . . . . 0.0 111.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 94.3 mt -89.36 97.06 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 106.559 165.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m -100.95 -171.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -55.3 -55.79 27.45 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.245 1.418 . . . . 0.0 112.558 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -52.91 -45.98 67.83 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.34 2.256 . . . . 0.0 112.635 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -47.11 61.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 127.95 2.5 . . . . 0.0 109.429 -176.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.47 -45.0 92.88 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.279 -1.513 . . . . 0.0 112.243 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 9.6 3.68 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -77.28 -59.0 2.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.32 -1.488 . . . . 0.0 108.577 160.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -34.72 68.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 121.745 0.783 . . . . 0.0 111.538 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.19 63.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 114.147 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.55 -47.17 15.97 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.96 169.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.9 -39.73 86.36 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-N 120.619 1.554 . . . . 0.0 113.095 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.54 -14.51 59.65 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.997 -1.064 . . . . 0.0 112.616 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.39 -2.68 86.59 Favored Glycine 0 C--N 1.35 1.319 0 O-C-N 121.048 -1.033 . . . . 0.0 113.533 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.79 -37.34 70.45 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 111.813 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 70.06 -67.95 0.22 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.903 1.681 . . . . 0.0 113.082 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp 66.9 157.74 0.12 Allowed 'General case' 0 C--N 1.352 0.701 0 C-N-CA 127.995 2.518 . . . . 0.0 114.211 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 75.9 p -84.0 163.7 19.78 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.62 -1.3 . . . . 0.0 111.251 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.3 -39.63 93.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.507 1.923 . . . . 0.0 111.792 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.12 -52.35 64.64 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.2 1.0 . . . . 0.0 112.383 168.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.02 -47.1 87.24 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.224 -0.922 . . . . 0.0 113.086 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.0 -44.96 79.16 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 121.174 -0.954 . . . . 0.0 112.103 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -65.81 -48.88 70.22 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.534 -0.729 . . . . 0.0 112.482 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -54.86 -42.62 72.25 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.445 1.498 . . . . 0.0 113.666 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.6 mtp -61.15 -32.9 72.61 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.44 -49.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.234 -1.541 . . . . 0.0 110.191 172.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.84 -35.42 70.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.714 1.606 . . . . 0.0 112.644 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.33 -52.2 65.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.949 1.7 . . . . 0.0 113.5 172.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.84 -32.23 40.58 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -160.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -76.51 118.53 19.27 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.276 1.036 . . . . 0.0 109.393 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.41 6.75 13.69 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.412 1.085 . . . . 0.0 108.293 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.497 ' CG ' HH11 ' A' ' 164' ' ' ARG . 3.7 m-20 -125.61 -42.94 1.91 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -148.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 111.97 59.23 0.45 Allowed Glycine 0 C--N 1.352 1.456 0 C-N-CA 123.988 0.804 . . . . 0.0 112.266 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.436 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 28.2 t70 -112.34 -49.64 2.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.476 1.11 . . . . 0.0 108.04 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 116.29 -32.87 5.4 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.949 1.262 . . . . 0.0 110.035 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -125.48 179.5 5.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.39 110.37 31.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.178 -1.577 . . . . 0.0 110.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.4 p -88.59 -178.64 5.87 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.171 -1.581 . . . . 0.0 111.452 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.11 -36.74 80.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.385 -1.447 . . . . 0.0 112.713 -172.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.637 0.775 . . . . 0.0 111.723 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.51 -47.63 83.1 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.38 1.472 . . . . 0.0 110.245 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.23 -49.53 77.26 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.678 1.191 . . . . 0.0 112.336 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.1 mt -57.15 -47.16 81.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.791 -1.193 . . . . 0.0 112.687 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 152' ' ' ASP . 43.4 ttm180 -55.15 -55.41 31.44 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.347 1.859 . . . . 0.0 112.716 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.4 pt -67.45 -36.83 77.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.026 -1.046 . . . . 0.0 113.212 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 72.0 mtp -69.34 -43.56 73.41 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.633 -1.292 . . . . 0.0 111.868 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.7 tttt . . . . . 0 C--N 1.355 0.817 0 O-C-N 121.01 -1.056 . . . . 0.0 112.457 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -36.29 -60.37 0.57 Allowed 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.927 2.891 . . . . 0.0 115.119 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -37.42 -43.91 0.6 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 128.827 2.851 . . . . 0.0 115.562 170.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.17 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.404 -1.435 . . . . 0.0 112.204 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.83 -53.02 6.85 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.232 1.015 . . . . 0.0 110.195 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.85 -37.49 79.14 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.858 1.263 . . . . 0.0 113.35 -170.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -97.43 14.59 25.82 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.794 1.179 . . . . 0.0 111.768 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -85.9 -55.01 4.16 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 155.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.8 -33.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.263 1.807 0 O-C-N 121.091 -1.006 . . . . 0.0 110.416 -178.122 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--O 1.232 0.154 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.81 -41.22 71.87 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.635 -0.665 . . . . 0.0 110.955 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -56.1 -48.39 76.23 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.849 0.86 . . . . 0.0 112.26 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -66.13 -39.42 84.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.111 1.364 . . . . 0.0 111.23 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -45.47 92.67 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.691 -1.255 . . . . 0.0 112.922 170.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -49.5 77.44 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.694 -1.254 . . . . 0.0 111.64 171.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.7 76.07 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.597 1.559 . . . . 0.0 112.976 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.79 -48.63 72.48 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.888 1.675 . . . . 0.0 112.278 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.83 -34.13 69.05 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.541 -1.349 . . . . 0.0 113.145 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.59 -34.35 78.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.537 -1.352 . . . . 0.0 112.763 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.83 -56.45 21.68 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.882 -1.136 . . . . 0.0 111.654 159.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -72.1 70.38 0.79 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.325 1.535 . . . . 0.0 114.905 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.26 -34.69 63.68 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.766 2.826 . . . . 0.0 109.744 170.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.68 -38.73 91.51 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 120.987 -1.071 . . . . 0.0 110.072 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.289 8.7 mt-10 74.74 57.17 0.07 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.372 1.869 . . . . 0.0 108.037 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -103.19 -19.21 14.59 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.664 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.17 -3.56 55.07 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 124.667 1.127 . . . . 0.0 111.64 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -143.5 156.68 44.69 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.528 1.131 . . . . 0.0 109.077 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.7 mt -83.14 85.82 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-O 124.502 2.096 . . . . 0.0 107.341 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.523 ' HG ' ' CD ' ' A' ' 156' ' ' GLU . 44.0 t -70.59 159.09 34.99 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 114.44 -1.255 . . . . 0.0 112.613 173.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.35 -36.09 41.37 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 125.0 1.32 . . . . 0.0 112.564 160.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -56.23 -48.88 75.61 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.961 1.704 . . . . 0.0 111.182 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -72.72 -40.56 66.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.009 1.723 . . . . 0.0 110.782 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -54.17 44.8 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 125.637 1.575 . . . . 0.0 112.377 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -24.59 59.59 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.376 0.671 . . . . 0.0 110.071 162.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.59 -43.94 55.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 124.649 1.179 . . . . 0.0 113.785 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.23 64.05 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.45 -31.37 42.47 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.166 -0.959 . . . . 0.0 113.372 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.92 -36.07 80.25 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.209 1.004 . . . . 0.0 112.881 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.9 -46.55 35.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.959 -1.088 . . . . 0.0 110.6 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.06 9.91 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.46 141.64 28.54 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 122.502 1.144 . . . . 0.0 110.641 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.708 -1.245 . . . . 0.0 114.096 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -91.22 144.47 25.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 122.38 1.086 . . . . 0.0 110.207 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.86 150.32 21.11 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.211 1.404 . . . . 0.0 110.017 -166.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -35.96 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.247 1.819 . . . . 0.0 115.419 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.06 -42.63 94.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.69 1.596 . . . . 0.0 112.94 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.5 -39.69 85.18 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.488 1.515 . . . . 0.0 110.338 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.63 -40.35 95.31 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.441 -1.412 . . . . 0.0 111.724 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -40.58 98.11 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.03 -1.043 . . . . 0.0 111.541 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.62 -49.33 65.31 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.085 1.354 . . . . 0.0 112.603 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.6 mtp -57.41 -39.78 76.89 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.072 -1.018 . . . . 0.0 113.368 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.87 -47.82 77.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.531 -1.356 . . . . 0.0 111.498 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.181 1.393 . . . . 0.0 111.826 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.35 -57.84 10.87 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 125.19 1.396 . . . . 0.0 112.506 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.06 -38.9 26.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -85.28 80.16 9.27 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 119.905 -1.747 . . . . 0.0 107.314 168.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -61.56 -26.87 68.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.654 2.382 . . . . 0.0 113.935 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -92.01 -40.51 11.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 92.4 67.11 1.11 Allowed Glycine 0 C--N 1.357 1.698 0 O-C-N 121.739 -0.601 . . . . 0.0 113.446 164.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -154.93 -69.44 0.13 Allowed 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.969 -0.724 . . . . 0.0 111.536 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.89 10.28 74.39 Favored Glycine 0 CA--C 1.497 -1.073 0 C-N-CA 124.813 1.197 . . . . 0.0 114.287 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.523 ' CD ' ' HG ' ' A' ' 122' ' ' SER 0.544 8.2 pt-20 65.34 -175.06 0.18 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.447 1.899 . . . . 0.0 113.289 176.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.09 106.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 124.419 2.057 . . . . 0.0 112.019 -149.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.4 m -94.51 160.54 14.6 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.138 -1.846 . . . . 0.0 112.024 -161.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 159' ' ' GLU . 1.1 mp0 -37.86 -65.2 0.34 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 131.047 3.739 . . . . 0.0 113.844 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.75 -16.17 61.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.785 1.234 . . . . 0.0 113.591 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -84.84 -42.79 14.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 121.173 -0.954 . . . . 0.0 110.265 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.36 -39.15 75.38 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.571 1.149 . . . . 0.0 111.267 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.42 -25.35 68.24 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.28 -58.71 5.75 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.757 1.617 . . . . 0.0 110.894 168.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.16 -28.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.832 -0.542 . . . . 0.0 111.826 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 26.2 mmt -85.6 -52.15 6.0 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp . . . . . 0 C--N 1.357 0.897 0 O-C-N 120.226 -1.546 . . . . 0.0 113.564 -168.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 123.521 1.629 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -62.3 -31.59 72.21 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.338 1.855 . . . . 0.0 110.939 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -40.14 -54.6 2.27 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 127.33 2.252 . . . . 0.0 113.524 163.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -83.5 -44.14 15.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 121.722 -0.611 . . . . 0.0 111.264 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.1 -47.7 70.4 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.793 -1.192 . . . . 0.0 113.482 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -72.98 -39.44 66.09 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.147 -0.971 . . . . 0.0 110.23 -172.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -76.03 -7.33 54.43 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -90.2 -48.94 6.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 123.757 0.823 . . . . 0.0 109.095 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.63 -32.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.162 -1.586 . . . . 0.0 114.81 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.995 -1.478 . . . . 0.0 111.773 -178.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.95 -31.82 63.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.296 -1.503 . . . . 0.0 111.375 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.37 -47.66 81.15 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.201 -0.937 . . . . 0.0 111.228 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.11 -44.95 92.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.594 1.558 . . . . 0.0 111.475 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.87 -40.24 96.91 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.317 -1.489 . . . . 0.0 113.584 172.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.31 -47.04 87.71 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.568 -1.332 . . . . 0.0 110.614 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.08 79.19 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -54.09 -46.29 72.02 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -70.48 -18.77 62.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.13 1.529 . . . . 0.0 115.13 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 -29.8 42.53 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.559 -1.963 . . . . 0.0 110.67 171.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.63 -69.1 0.53 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 123.525 0.73 . . . . 0.0 110.131 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.26 94.46 5.08 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.745 -1.222 . . . . 0.0 109.173 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -23.55 -71.73 0.02 OUTLIER 'General case' 0 C--N 1.364 1.218 0 C-N-CA 128.554 2.742 . . . . 0.0 113.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.89 46.79 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 154.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.455 ' CD ' ' HZ1' ' A' ' 124' ' ' LYS . 10.8 pt-20 -92.84 -38.54 11.69 Favored 'General case' 0 C--N 1.36 1.046 0 O-C-N 121.511 -0.743 . . . . 0.0 112.276 -166.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -33.97 4.64 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 171.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.55 14.24 66.11 Favored Glycine 0 C--N 1.356 1.69 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -140.32 132.66 28.34 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 80.4 mt -73.94 108.09 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 O-C-N 119.674 -1.891 . . . . 0.0 110.42 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t -86.99 168.9 12.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.656 1.582 . . . . 0.0 111.774 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -57.5 -49.04 77.62 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.696 1.598 . . . . 0.0 110.826 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.455 ' HZ1' ' CD ' ' A' ' 117' ' ' GLU . 28.3 ttpp -56.19 -41.8 76.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.736 1.614 . . . . 0.0 112.616 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -88.41 -26.7 22.01 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.675 0.79 . . . . 0.0 111.846 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.89 -36.93 84.96 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.649 -1.907 . . . . 0.0 111.645 160.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -69.6 -18.03 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 119.198 -2.189 . . . . 0.0 114.275 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -64.37 -48.82 74.02 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.222 -1.549 . . . . 0.0 112.263 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 p -60.82 -37.76 77.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.887 1.221 . . . . 0.0 111.838 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.92 -42.81 65.75 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 168.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -82.19 -24.52 34.9 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.04 -1.663 . . . . 0.0 113.877 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -57.02 -45.91 82.73 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 127.012 2.125 . . . . 0.0 110.775 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.31 -41.98 55.64 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.71 1.204 . . . . 0.0 111.637 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.64 37.63 2.75 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 121.244 -0.91 . . . . 0.0 111.02 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -93.16 -158.46 0.61 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.546 1.165 . . . . 0.0 110.685 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -125.7 -81.4 0.62 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.175 -1.578 . . . . 0.0 107.621 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.5 mp 72.01 146.24 0.07 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.809 2.044 . . . . 0.0 113.759 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.2 p -92.18 172.69 8.26 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.784 -1.197 . . . . 0.0 108.256 167.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -68.99 -33.52 73.81 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.133 1.773 . . . . 0.0 110.77 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.42 -59.03 2.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 129.185 2.994 . . . . 0.0 112.375 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -54.72 -54.54 40.51 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.308 1.843 . . . . 0.0 112.412 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.18 -46.12 91.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 121.011 -1.055 . . . . 0.0 111.677 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.45 -53.12 59.5 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.356 -0.84 . . . . 0.0 112.345 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.78 -36.13 82.89 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.742 -1.224 . . . . 0.0 112.701 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.4 mtm -57.79 -46.13 85.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 169.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.3 -54.66 30.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 O-C-N 121.405 -0.809 . . . . 0.0 111.693 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -58.17 -33.0 68.75 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.946 1.298 . . . . 0.0 113.46 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.1 -22.7 41.89 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.599 -1.313 . . . . 0.0 112.539 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.2 -70.72 0.35 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.1 105.93 16.19 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.341 1.428 . . . . 0.0 112.191 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -70.73 -47.73 58.19 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -155.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.56 46.45 2.64 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -98.33 -108.77 2.79 Favored Glycine 0 C--N 1.358 1.801 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -163.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -142.17 -47.32 0.35 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 122.293 -0.533 . . . . 0.0 109.837 -155.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.79 -37.35 2.61 Favored Glycine 0 CA--C 1.493 -1.314 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 -166.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.76 146.82 34.31 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 123.187 1.47 . . . . 0.0 108.846 167.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.4 t -92.58 108.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 120.727 -1.233 . . . . 0.0 111.444 -161.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 p -70.99 176.17 4.57 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.25 -1.531 . . . . 0.0 113.374 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -53.61 -44.31 69.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.963 1.705 . . . . 0.0 112.206 175.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.428 ' H ' ' CD ' ' A' ' 159' ' ' GLU . 77.1 mm-40 -57.35 -49.8 75.01 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 125.208 1.403 . . . . 0.0 112.773 174.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.46 -29.64 52.89 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.103 0.561 . . . . 0.0 111.233 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -58.14 -50.09 74.71 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.551 1.141 . . . . 0.0 111.173 163.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.73 -39.54 89.02 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.874 -1.141 . . . . 0.0 113.259 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -60.49 -50.51 73.26 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.349 -1.469 . . . . 0.0 112.001 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.429 -0.794 . . . . 0.0 112.347 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 23.7 mmt -73.46 -30.84 63.44 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.373 -1.454 . . . . 0.0 112.597 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp . . . . . 0 C--N 1.354 0.764 0 O-C-N 120.541 -1.349 . . . . 0.0 113.287 175.58 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.1 -26.89 68.41 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 125.057 1.343 . . . . 0.0 110.604 169.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -56.8 -41.05 77.04 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.922 -1.111 . . . . 0.0 112.349 167.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.17 -54.5 8.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.096 -1.002 . . . . 0.0 110.632 173.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.56 -43.68 98.42 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.11 -38.16 72.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.621 -1.299 . . . . 0.0 111.18 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.28 -18.57 63.12 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.093 0.861 . . . . 0.0 113.11 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -71.11 -51.99 21.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.229 1.011 . . . . 0.0 109.527 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.6 p -83.46 -36.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.715 -173.762 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 mptt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.09 -30.66 60.97 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.346 -1.471 . . . . 0.0 110.774 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -59.67 -43.5 93.96 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 123.967 0.907 . . . . 0.0 111.577 170.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.55 -47.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 112.213 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.49 -1.381 . . . . 0.0 112.632 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -53.75 51.1 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.342 1.457 . . . . 0.0 111.54 170.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.26 73.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.43 1.892 . . . . 0.0 113.798 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.34 -43.86 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.693 1.197 . . . . 0.0 112.143 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -18.81 54.98 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 176.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -75.2 -39.12 60.42 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.779 -1.826 . . . . 0.0 110.053 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -61.97 -65.86 0.63 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.412 1.085 . . . . 0.0 112.476 167.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -85.31 80.25 9.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.581 1.181 . . . . 0.0 109.444 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -96.36 18.42 13.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.188 1.47 . . . . 0.0 109.685 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.01 3.66 30.83 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.044 1.338 . . . . 0.0 108.371 172.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 55.73 44.51 26.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.565 1.946 . . . . 0.0 115.066 169.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.1 t -111.84 -25.54 9.4 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 110.676 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 110.76 -2.06 28.92 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 121.577 -0.702 . . . . 0.0 113.186 168.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -139.06 149.8 45.01 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 103.0 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.808 -1.183 . . . . 0.0 108.758 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -68.92 161.15 29.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.652 0.739 . . . . 0.0 111.513 170.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -53.04 -46.15 68.34 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.899 1.28 . . . . 0.0 111.992 171.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -54.83 -41.77 71.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.053 1.341 . . . . 0.0 113.309 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.91 -34.61 33.33 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.893 1.277 . . . . 0.0 108.348 -170.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.94 -53.81 54.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.541 1.136 . . . . 0.0 111.684 166.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.299 32.9 pttt -72.58 -20.85 61.23 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -54.33 -51.98 63.0 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 110.99 163.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.51 -46.94 79.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.152 -0.968 . . . . 0.0 112.331 172.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.45 69.46 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -22.38 56.9 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.318 -1.489 . . . . 0.0 113.214 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -39.7 67.03 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.693 1.197 . . . . 0.0 112.226 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.63 -46.03 64.07 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.932 -1.105 . . . . 0.0 110.857 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.63 68.51 0.66 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -72.85 174.78 7.24 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.98 60.92 0.85 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 159.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.426 2.6 pt? -112.13 -53.65 2.69 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.053 171.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.313 1.2 m 106.96 160.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.971 2.908 . . . . 0.0 110.888 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.75 -39.68 25.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 129.346 3.058 . . . . 0.0 116.793 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.89 -46.32 53.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.577 1.179 . . . . 0.0 110.916 -168.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.2 pm0 -71.75 -29.32 64.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.429 -1.419 . . . . 0.0 111.73 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.39 -37.13 86.43 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.357 -2.089 . . . . 0.0 113.25 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -64.31 -38.59 91.59 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.422 -1.424 . . . . 0.0 110.88 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -54.43 -43.64 71.76 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.384 -0.822 . . . . 0.0 112.887 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mtp -57.11 -41.83 79.73 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.82 -1.175 . . . . 0.0 113.455 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.79 -50.14 80.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.481 -1.387 . . . . 0.0 111.96 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -39.49 92.87 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 112.504 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.01 -55.11 38.08 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.735 1.614 . . . . 0.0 112.091 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.44 50.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -82.89 67.04 8.8 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.303 -1.498 . . . . 0.0 109.728 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -53.83 -49.46 68.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.355 2.262 . . . . 0.0 114.065 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -94.09 -19.97 20.34 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.085 0.554 . . . . 0.0 110.628 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.07 63.55 0.99 Allowed Glycine 0 C--N 1.358 1.773 0 O-C-N 121.242 -0.911 . . . . 0.0 111.605 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.13 -38.26 36.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.392 1.877 . . . . 0.0 108.27 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 134.85 -37.29 1.96 Allowed Glycine 0 C--N 1.356 1.678 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -148.42 173.12 13.42 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.68 110.71 18.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-O 123.268 1.509 . . . . 0.0 109.209 -172.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.1 p -100.98 177.31 4.99 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -151.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.87 -51.5 63.45 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 127.818 2.447 . . . . 0.0 110.734 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.37 -49.99 67.23 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.142 0.977 . . . . 0.0 112.285 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.89 -32.06 61.74 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 120.295 -1.503 . . . . 0.0 112.753 -169.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.97 -44.22 96.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.603 -0.685 . . . . 0.0 110.943 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.41 -28.62 68.07 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.846 -1.159 . . . . 0.0 113.773 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -62.24 -63.25 1.3 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.194 1.361 . . . . 0.0 111.177 165.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.15 -22.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 120.525 -1.359 . . . . 0.0 113.474 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.8 mmt -100.62 10.78 40.72 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.473 1.109 . . . . 0.0 113.411 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . 0.281 0.2 OUTLIER . . . . . 0 C--N 1.362 1.152 0 O-C-N 119.916 -1.74 . . . . 0.0 109.2 168.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.231 0.126 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -59.89 -41.4 91.55 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.349 -1.469 . . . . 0.0 110.467 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -30.03 -59.62 0.17 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 130.109 3.364 . . . . 0.0 114.896 156.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.43 -36.99 52.62 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.334 1.054 . . . . 0.0 111.172 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.63 -46.84 88.78 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.626 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -70.85 -37.86 73.15 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.206 -0.934 . . . . 0.0 112.863 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.17 -15.53 62.53 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.224 -1.547 . . . . 0.0 113.745 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -85.56 -63.84 1.26 Allowed 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 124.888 1.275 . . . . 0.0 109.944 163.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.93 -17.47 8.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -162.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.26 1.647 0 O-C-N 120.739 -1.226 . . . . 0.0 109.966 -177.002 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.1 tptt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.38 -57.74 10.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.701 1.201 . . . . 0.0 110.715 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -59.5 -39.64 84.44 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -67.19 -43.58 88.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 O-C-N 120.468 -1.395 . . . . 0.0 111.515 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.66 -42.77 98.05 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.301 -1.499 . . . . 0.0 111.733 173.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -57.49 -49.22 76.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.235 1.414 . . . . 0.0 111.828 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.97 84.54 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 121.071 -1.018 . . . . 0.0 112.859 171.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.49 -48.13 77.81 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.353 1.061 . . . . 0.0 112.872 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.9 -27.76 61.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.714 -1.241 . . . . 0.0 113.195 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.165 -1.584 . . . . 0.0 111.982 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.416 ' CD2' HG11 ' A' ' 129' ' ' VAL . 5.0 m-85 -64.8 -58.14 7.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.154 -0.966 . . . . 0.0 111.246 162.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -74.29 54.04 0.54 Allowed 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.663 1.585 . . . . 0.0 112.058 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.477 ' CG ' HH22 ' A' ' 128' ' ' ARG . 38.5 t0 -54.81 -34.87 63.27 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.667 3.187 . . . . 0.0 110.42 172.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -81.06 -8.75 59.84 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 53.0 55.67 8.61 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.689 2.395 . . . . 0.0 114.044 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 t -111.38 -9.45 14.25 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.55 -20.03 52.04 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 120.389 -1.444 . . . . 0.0 113.465 167.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -138.91 135.43 34.43 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 46.0 mt -75.83 97.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 120.613 -1.304 . . . . 0.0 108.453 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m -67.23 167.48 12.15 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.055 1.742 . . . . 0.0 112.959 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.95 -50.18 67.04 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.954 1.302 . . . . 0.0 112.673 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -64.72 -36.83 85.55 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 121.052 -1.03 . . . . 0.0 112.526 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.69 -40.86 72.65 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 123.66 0.784 . . . . 0.0 110.394 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.34 -44.34 88.7 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.681 -1.262 . . . . 0.0 112.021 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -28.25 62.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.807 -1.183 . . . . 0.0 113.265 176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.477 HH22 ' CG ' ' A' ' 115' ' ' ASP . 6.3 mmm180 -56.84 -59.67 4.7 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.529 -1.357 . . . . 0.0 112.107 165.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 113' ' ' PHE . 8.6 p -58.36 -39.15 73.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 120.443 -1.41 . . . . 0.0 112.38 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.59 75.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.72 -54.08 50.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.61 -1.306 . . . . 0.0 111.929 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -32.1 64.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 121.012 0.434 . . . . 0.0 111.615 -166.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.01 -48.06 63.97 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.065 1.346 . . . . 0.0 110.665 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.69 68.72 0.44 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -77.86 -167.61 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -175.21 37.77 0.01 OUTLIER 'General case' 0 C--N 1.351 0.67 0 C-N-CA 125.956 1.703 . . . . 0.0 108.079 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.5 -132.18 0.29 Allowed 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 53.9 m -166.12 160.48 16.33 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.18 -34.67 23.41 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 128.215 2.606 . . . . 0.0 114.758 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.46 -56.71 18.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.752 2.021 . . . . 0.0 111.958 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -53.43 -47.61 69.48 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.85 1.66 . . . . 0.0 112.763 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.65 -37.58 82.0 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.61 -1.307 . . . . 0.0 113.0 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.37 -39.32 85.68 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.396 -1.44 . . . . 0.0 112.014 172.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -66.66 -39.61 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.023 -1.048 . . . . 0.0 111.798 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.6 mtp -57.46 -46.77 83.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.826 -1.171 . . . . 0.0 113.176 167.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.8 mm -57.07 -48.26 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 O-C-N 120.146 -1.596 . . . . 0.0 112.389 170.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.03 -49.44 75.82 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.954 1.252 . . . . 0.0 111.492 175.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -38.4 -47.51 1.25 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.095 1.758 . . . . 0.0 113.482 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.11 -63.84 1.32 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 166.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -89.95 95.44 10.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.85 2.06 . . . . 0.0 110.385 -166.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -61.21 -49.42 77.22 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.051 1.74 . . . . 0.0 112.411 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.5 -44.83 93.01 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 127.429 2.291 . . . . 0.0 110.735 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.3 -21.52 37.17 Favored Glycine 0 C--N 1.357 1.704 0 O-C-N 121.466 -0.771 . . . . 0.0 112.311 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -96.75 -53.52 3.52 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 125.973 1.709 . . . . 0.0 109.983 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -80.25 52.03 4.24 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.189 1.376 . . . . 0.0 115.64 -167.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -9.45 171.95 0.0 OUTLIER 'General case' 0 C--N 1.352 0.713 1 C-N-CA 135.803 5.641 . . . . 0.0 121.483 174.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 10.8 t -92.4 103.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 O-C-N 117.059 -3.526 . . . . 0.0 113.537 -153.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 91.5 p -86.03 -178.83 6.64 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.671 -1.893 . . . . 0.0 111.322 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -63.97 -30.44 71.52 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -70.59 -41.39 72.41 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.862 -1.149 . . . . 0.0 111.925 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -66.34 -40.5 89.9 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.016 -1.053 . . . . 0.0 109.904 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.71 -52.25 66.31 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.089 1.755 . . . . 0.0 111.576 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.99 -47.54 64.86 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.564 -1.335 . . . . 0.0 112.436 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.71 -54.45 44.13 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 124.111 0.964 . . . . 0.0 113.26 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.44 -17.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 90.8 mmm -73.72 -45.93 49.16 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.586 -1.321 . . . . 0.0 110.619 167.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 C--N 1.352 0.706 0 O-C-N 121.257 -0.902 . . . . 0.0 112.708 178.708 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.42 -36.19 73.22 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 125.526 1.53 . . . . 0.0 110.039 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -11.63 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 130.637 3.575 . . . . 0.0 115.396 152.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -90.32 -35.46 15.24 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.131 -174.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.8 -35.21 78.23 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.074 -1.016 . . . . 0.0 111.944 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -41.35 66.18 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 120.98 -1.075 . . . . 0.0 111.134 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.09 62.78 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.11 -1.618 . . . . 0.0 112.821 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.86 -60.82 2.04 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 124.014 0.926 . . . . 0.0 110.382 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.84 -36.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.256 1.419 0 O-C-N 120.792 -1.192 . . . . 0.0 113.704 -162.027 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.25 -38.57 78.51 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.848 -1.157 . . . . 0.0 112.145 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.5 -35.29 77.3 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.486 -1.384 . . . . 0.0 111.577 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.7 -52.49 56.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 O-C-N 120.536 -1.352 . . . . 0.0 111.38 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.9 mt -57.34 -45.04 84.7 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.434 -1.416 . . . . 0.0 113.612 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -59.98 -45.11 93.77 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.919 -1.113 . . . . 0.0 112.317 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.3 91.03 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.904 1.282 . . . . 0.0 112.047 173.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.82 -45.58 74.44 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 121.083 -1.011 . . . . 0.0 112.096 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -68.53 -27.1 65.8 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.8 mt -69.79 -28.17 65.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.426 -1.421 . . . . 0.0 113.059 171.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -85.12 -46.08 11.46 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.438 -0.789 . . . . 0.0 110.797 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -89.88 71.95 7.55 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.732 -1.855 . . . . 0.0 111.335 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -40.41 86.64 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.894 1.678 . . . . 0.0 111.835 170.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -80.1 -10.76 59.78 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.468 1.107 . . . . 0.0 111.221 -164.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 68.87 47.22 0.81 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.697 1.599 . . . . 0.0 111.9 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -97.99 -12.47 21.92 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.437 -0.789 . . . . 0.0 110.86 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.91 13.51 74.75 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 120.965 -1.085 . . . . 0.0 112.217 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -136.94 150.69 48.34 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 82.1 mt -101.07 100.67 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 160.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -81.55 179.39 7.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.249 1.023 . . . . 0.0 111.417 169.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -60.47 -36.14 77.55 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.546 -1.346 . . . . 0.0 111.372 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.15 -43.4 98.95 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.42 -1.425 . . . . 0.0 111.144 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -68.97 -38.66 79.5 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 111.786 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -50.31 73.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.96 0.904 . . . . 0.0 111.286 167.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -59.97 -39.52 85.93 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.871 -1.143 . . . . 0.0 113.961 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -49.62 -53.69 22.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.436 1.471 . . . . 0.0 112.647 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.14 -39.6 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 111.375 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.24 75.04 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -17.51 49.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.008 1.276 . . . . 0.0 114.109 174.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -77.07 -34.18 57.04 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.545 -1.347 . . . . 0.0 110.781 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.22 -49.03 38.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.348 -0.845 . . . . 0.0 110.023 165.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.68 104.39 2.82 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.93 113.16 2.64 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -108.89 14.88 23.9 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -132.41 153.55 50.7 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 m -80.26 156.63 26.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.946 0.879 . . . . 0.0 111.008 -172.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.37 -33.53 63.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.513 2.325 . . . . 0.0 113.683 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.87 -39.31 58.75 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.101 2.16 . . . . 0.0 113.424 168.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -75.25 -40.81 58.54 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.854 -1.154 . . . . 0.0 110.456 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.68 -40.57 95.45 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 120.722 -1.236 . . . . 0.0 111.589 172.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.36 -47.81 84.45 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.933 1.293 . . . . 0.0 112.636 170.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -56.44 -43.64 79.66 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.366 1.466 . . . . 0.0 112.492 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.7 mtp -54.84 -44.14 73.68 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.682 -1.261 . . . . 0.0 113.897 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.5 mm -62.79 -49.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.998 -1.064 . . . . 0.0 111.646 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.64 -43.1 97.78 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.187 0.995 . . . . 0.0 112.581 -174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -26.71 63.07 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.465 -1.397 . . . . 0.0 112.185 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.48 -59.67 3.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.8 -2.438 . . . . 0.0 113.214 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -69.49 97.44 1.0 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-O 123.384 1.564 . . . . 0.0 113.445 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -37.64 14.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 126.761 2.025 . . . . 0.0 107.71 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 -43.52 95.58 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.471 1.508 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.04 67.07 0.93 Allowed Glycine 0 C--N 1.353 1.509 0 O-C-N 121.421 -0.799 . . . . 0.0 112.171 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -105.43 -52.28 2.86 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.449 1.5 . . . . 0.0 107.527 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.71 -41.99 1.54 Allowed Glycine 0 CA--C 1.495 -1.188 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -115.13 158.74 21.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 122.658 1.218 . . . . 0.0 108.085 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.11 113.07 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 O-C-N 120.205 -1.559 . . . . 0.0 109.575 -167.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.2 p -84.85 163.46 19.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.342 1.057 . . . . 0.0 111.085 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 0.2 OUTLIER -68.49 -30.04 68.78 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.197 -1.564 . . . . 0.0 113.407 -169.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -59.09 -33.75 71.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.144 1.778 . . . . 0.0 113.869 170.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.72 -48.05 12.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.486 1.114 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -51.08 -49.41 60.72 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 125.898 1.679 . . . . 0.0 112.267 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -65.59 -48.93 70.67 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 120.575 -1.328 . . . . 0.0 112.496 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -70.11 -28.91 37.78 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 121.588 -0.695 . . . . 0.0 111.219 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 20.6 mmt -69.97 -47.47 62.14 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.491 -0.756 . . . . 0.0 112.168 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.358 0.973 0 C-N-CA 125.011 1.324 . . . . 0.0 113.136 177.106 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.513 -0.445 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -75.51 -6.85 52.27 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.824 -1.172 . . . . 0.0 112.668 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -56.29 -57.99 9.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.812 2.045 . . . . 0.0 110.73 161.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.76 -43.3 59.41 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.356 1.462 . . . . 0.0 110.698 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.79 -36.28 83.08 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 113.092 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -71.95 -41.22 68.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.654 -1.278 . . . . 0.0 112.253 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.78 -24.5 66.2 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.427 -0.796 . . . . 0.0 111.594 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -106.04 29.68 6.51 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 124.485 1.114 . . . . 0.0 111.454 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . 0.32 52.6 t 136.58 -51.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 128.43 2.692 . . . . 0.0 111.901 154.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.265 1.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -150.226 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -82.19 -34.2 29.11 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.627 -1.296 . . . . 0.0 110.847 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.068 1.747 . . . . 0.0 111.736 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.93 -39.51 84.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 O-C-N 121.12 -0.987 . . . . 0.0 111.553 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.45 -44.71 92.9 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.396 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -58.79 -56.74 18.28 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.358 -0.839 . . . . 0.0 111.92 168.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.73 82.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.67 -39.98 88.39 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.635 -1.291 . . . . 0.0 109.996 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -33.38 74.5 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.88 -41.06 83.36 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.037 -1.039 . . . . 0.0 112.867 170.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.52 -51.0 13.98 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.853 -1.155 . . . . 0.0 113.173 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.14 99.09 6.82 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.932 -1.105 . . . . 0.0 110.504 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -68.61 -50.92 47.78 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.004 2.121 . . . . 0.0 112.287 -166.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -87.65 -4.55 58.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.62 1.568 . . . . 0.0 110.836 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.353 15.8 pt-20 49.43 57.44 6.5 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.321 2.648 . . . . 0.0 114.978 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -83.46 -14.13 53.19 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.302 -0.874 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.62 28.2 8.07 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -149.21 126.1 11.2 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.04 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.924 -1.735 . . . . 0.0 107.187 164.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.1 p -79.08 167.06 21.59 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.227 1.011 . . . . 0.0 111.575 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.03 -39.81 79.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.031 0.932 . . . . 0.0 111.35 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.87 1.268 . . . . 0.0 111.553 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -75.21 -30.31 60.57 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 121.562 0.696 . . . . 0.0 110.76 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -52.54 65.33 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.344 -1.472 . . . . 0.0 112.242 164.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.46 -35.61 76.29 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 119.918 -1.739 . . . . 0.0 113.059 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -56.09 26.28 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.88 1.272 . . . . 0.0 111.542 168.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.53 -34.35 69.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.247 -1.533 . . . . 0.0 112.692 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.16 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 120.569 -1.332 . . . . 0.0 113.39 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.83 -30.09 67.52 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.312 -1.493 . . . . 0.0 113.443 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.06 -38.61 82.64 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.196 0.907 . . . . 0.0 112.24 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -42.71 81.78 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.774 -1.204 . . . . 0.0 111.077 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.08 58.63 0.78 Allowed Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 153.38 43.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.06 63.14 1.6 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 168.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.81 -126.14 0.16 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.3 m -145.4 -108.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 101.546 -3.502 . . . . 0.0 101.546 156.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -132.59 -30.88 1.41 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 121.223 1.829 . . . . 0.0 111.394 167.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -52.03 -45.92 64.81 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 128.574 2.75 . . . . 0.0 112.601 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -54.2 -51.32 64.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.205 1.802 . . . . 0.0 113.551 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.2 -21.55 42.83 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 119.936 -1.727 . . . . 0.0 111.998 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -42.28 81.39 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.651 -1.28 . . . . 0.0 110.909 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.71 -47.31 77.07 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 111.04 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 98.7 mtp -50.53 -49.78 54.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 170.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.53 -54.68 28.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 124.304 1.041 . . . . 0.0 112.535 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.33 -36.28 82.5 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.783 0.833 . . . . 0.0 112.691 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.88 -40.38 91.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.833 -1.167 . . . . 0.0 110.809 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.77 20.89 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 120.755 -1.216 . . . . 0.0 112.866 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.64 45.87 0.42 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-O 123.572 1.653 . . . . 0.0 111.816 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 32.8 ttm105 -61.42 -32.31 72.27 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.641 1.976 . . . . 0.0 112.684 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -128.07 14.03 6.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.253 1.021 . . . . 0.0 110.497 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.8 -124.56 5.36 Favored Glycine 0 C--N 1.361 1.921 0 N-CA-C 117.43 1.732 . . . . 0.0 117.43 -155.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.21 42.78 0.94 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-O 122.169 0.985 . . . . 0.0 109.965 -165.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.62 -38.7 2.49 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 119.294 -2.128 . . . . 0.0 112.832 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -125.62 142.38 51.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 127.105 2.162 . . . . 0.0 106.379 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 126.82 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-O 122.036 0.922 . . . . 0.0 111.52 -155.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 p -76.34 168.66 19.66 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.808 1.243 . . . . 0.0 111.998 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.82 -39.46 94.27 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.03 -1.044 . . . . 0.0 113.256 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.83 -38.99 80.22 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.779 -1.201 . . . . 0.0 111.263 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.76 -39.37 80.29 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.623 -1.298 . . . . 0.0 110.271 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.5 -49.72 76.7 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.385 1.074 . . . . 0.0 112.148 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.59 -50.58 53.48 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.573 1.149 . . . . 0.0 113.478 170.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -55.78 -50.33 70.75 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.042 0.937 . . . . 0.0 113.457 176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.295 2.0 pp -74.02 -29.21 24.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.93 66.53 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.679 -1.263 . . . . 0.0 111.744 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.554 169.719 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 122.666 1.222 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -63.71 -26.97 68.89 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.822 1.649 . . . . 0.0 112.399 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -42.55 -59.95 1.71 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.652 1.581 . . . . 0.0 112.659 165.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.69 83.76 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 124.795 1.238 . . . . 0.0 111.781 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.23 -48.66 41.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.622 -0.674 . . . . 0.0 112.291 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.37 -44.64 71.12 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.796 -1.19 . . . . 0.0 111.679 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -87.27 5.82 36.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.253 -0.904 . . . . 0.0 111.659 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -78.03 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.633 -1.292 . . . . 0.0 107.643 156.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.05 -46.39 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -169.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.26 1.646 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -171.025 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 CA--C 1.509 -0.632 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.3 -36.7 71.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 170.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -67.02 -40.6 87.27 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 117.818 -3.051 . . . . 0.0 112.46 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.84 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 120.913 -1.117 . . . . 0.0 110.832 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.29 -40.98 92.38 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.222 1.809 . . . . 0.0 113.142 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -62.34 -43.24 99.3 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.216 1.807 . . . . 0.0 112.732 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.71 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.402 -0.811 . . . . 0.0 111.71 169.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -55.78 -43.29 76.62 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.479 1.512 . . . . 0.0 113.136 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -55.92 -38.14 69.87 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.753 2.421 . . . . 0.0 114.025 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.211 1.004 . . . . 0.0 111.577 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -66.9 -52.92 37.47 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.376 -0.827 . . . . 0.0 112.543 167.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.08 54.77 0.55 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.446 1.498 . . . . 0.0 114.398 -173.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 128' ' ' ARG . 47.4 t0 -41.12 -45.49 2.76 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 131.157 3.783 . . . . 0.0 113.888 172.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -89.56 -4.39 57.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.125 1.37 . . . . 0.0 111.941 -166.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 61.49 62.84 1.26 Allowed 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.745 1.618 . . . . 0.0 112.179 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -129.7 -17.88 3.56 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.552 0.741 . . . . 0.0 112.363 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.58 28.44 43.32 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 119.521 1.055 . . . . 0.0 113.147 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.467 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 56.7 mttt -156.62 122.45 4.86 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -176.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 55.1 mt -80.0 95.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 O-C-N 120.234 -1.541 . . . . 0.0 108.955 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 p -78.44 176.27 9.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.958 1.361 . . . . 0.0 111.67 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -51.62 -46.51 63.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.45 1.9 . . . . 0.0 112.693 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.56 -50.15 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.824 1.25 . . . . 0.0 111.524 175.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -59.49 -41.97 91.04 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.801 1.64 . . . . 0.0 112.016 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -46.75 82.66 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.985 0.914 . . . . 0.0 113.207 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -19.56 57.11 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.559 -1.338 . . . . 0.0 114.195 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 115' ' ' ASP . 3.5 tmt_? -59.07 -52.42 65.83 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 126.46 1.904 . . . . 0.0 110.3 166.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.1 -44.47 91.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.048 1.339 . . . . 0.0 112.072 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.88 69.32 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.97 -24.6 59.64 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.85 -42.75 85.21 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.279 -0.888 . . . . 0.0 112.147 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.2 -43.08 68.09 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.239 -0.913 . . . . 0.0 110.696 170.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.04 38.84 4.48 Favored Glycine 0 CA--C 1.494 -1.271 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -175.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.15 159.06 16.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 122.421 1.105 . . . . 0.0 112.417 -171.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.95 82.01 5.13 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.264 -0.897 . . . . 0.0 111.966 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pt? -153.28 159.68 42.59 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 121.192 -0.943 . . . . 0.0 113.082 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.438 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 4.2 m -118.54 -110.1 0.35 Allowed 'General case' 0 C--N 1.353 0.761 0 C-N-CA 126.985 2.114 . . . . 0.0 110.74 -149.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -111.49 -54.15 2.64 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 119.917 -1.739 . . . . 0.0 106.688 163.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -42.8 -53.17 4.73 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 130.699 3.6 . . . . 0.0 114.443 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 138' ' ' THR . 3.0 mp0 -73.71 -33.1 64.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.703 1.601 . . . . 0.0 110.66 -172.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.56 -43.82 72.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.752 1.221 . . . . 0.0 109.241 172.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.07 -44.33 96.91 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.289 1.436 . . . . 0.0 111.553 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -54.26 -52.65 60.72 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.055 1.742 . . . . 0.0 111.899 169.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 mtm -55.03 -44.99 75.16 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.638 -1.289 . . . . 0.0 114.235 174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.67 -47.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 121.37 -0.832 . . . . 0.0 112.636 174.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.06 -25.66 59.95 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.054 -1.029 . . . . 0.0 113.069 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -64.4 -50.41 67.73 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.543 -1.348 . . . . 0.0 109.664 164.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.85 -54.26 16.74 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -79.9 94.47 5.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.971 -1.081 . . . . 0.0 112.536 -164.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -85.09 -23.21 28.6 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 120.52 -1.362 . . . . 0.0 111.792 -169.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.61 -40.28 61.64 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.875 1.27 . . . . 0.0 109.474 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.31 43.29 2.39 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 120.74 -1.225 . . . . 0.0 111.024 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.467 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 46.7 t0 -85.6 -52.95 5.47 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.973 1.309 . . . . 0.0 107.844 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.46 17.29 7.16 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 125.648 1.594 . . . . 0.0 109.757 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.9 119.56 0.16 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 123.68 1.705 . . . . 0.0 108.119 -162.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.16 116.68 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.255 -148.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.4 p -76.75 168.45 20.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 124.588 1.155 . . . . 0.0 112.796 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -43.18 89.4 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.166 -1.583 . . . . 0.0 113.209 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -59.21 -37.45 77.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.042 1.337 . . . . 0.0 114.036 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.483 1.113 . . . . 0.0 110.178 175.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -52.2 -46.42 65.58 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.046 1.738 . . . . 0.0 112.393 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.4 mt -58.44 -36.99 74.49 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -69.15 -49.94 52.25 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.285 -1.509 . . . . 0.0 110.96 174.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -76.38 -12.92 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 113.001 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 15.2 mmt -74.65 -39.93 61.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 120.543 -1.348 . . . . 0.0 112.192 167.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.357 0.921 0 O-C-N 119.937 -1.727 . . . . 0.0 112.272 171.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.979 0.895 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -65.82 -32.28 73.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 125.399 1.479 . . . . 0.0 110.076 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -50.34 -55.86 13.75 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.602 1.961 . . . . 0.0 112.301 162.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.76 84.8 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.453 -1.404 . . . . 0.0 112.251 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.0 -49.88 72.92 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.096 -1.003 . . . . 0.0 112.524 175.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.55 -13.7 59.85 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 120.786 -1.196 . . . . 0.0 112.613 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -73.06 -22.73 60.56 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 122.315 2.325 . . . . 0.0 111.707 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -77.87 -49.28 14.55 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.936 0.894 . . . . 0.0 110.109 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 7.0 p -100.12 -23.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.092 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -78.3 136.28 37.7 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.219 0.918 . . . . 0.0 111.187 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -135.57 -91.42 0.29 Allowed 'General case' 0 C--N 1.35 0.617 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 169.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.1 tpt -89.62 105.67 17.95 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.484 -0.76 . . . . 0.0 110.515 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 p -89.15 -16.67 30.84 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 123.785 0.834 . . . . 0.0 111.916 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -81.88 168.3 18.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.5 1.12 . . . . 0.0 110.678 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.98 -0.4 16.73 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 123.449 1.595 . . . . 0.0 108.748 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.52 18.99 9.01 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 125.733 1.613 . . . . 0.0 110.813 -151.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -65.52 -34.87 79.27 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.034 -1.041 . . . . 0.0 109.358 158.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' HZ2' ' CD ' ' A' ' 159' ' ' GLU . 7.1 tmtt? -60.93 -45.61 94.01 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 120.436 -1.415 . . . . 0.0 111.385 172.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.05 -51.39 68.0 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.164 1.385 . . . . 0.0 111.895 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -50.64 -55.16 17.67 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.684 1.194 . . . . 0.0 112.569 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.69 -44.31 98.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.752 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.45 -47.18 87.25 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.831 -1.168 . . . . 0.0 113.312 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -33.59 63.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.344 -1.473 . . . . 0.0 111.16 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.04 75.53 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 123.963 0.905 . . . . 0.0 112.124 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -49.94 -47.3 52.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 125.245 1.418 . . . . 0.0 112.493 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -66.3 -26.63 67.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.56 -24.51 62.8 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.322 -1.486 . . . . 0.0 113.146 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -81.34 -51.65 8.13 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 121.358 -0.839 . . . . 0.0 110.781 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -75.66 77.68 2.64 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.464 1.106 . . . . 0.0 112.285 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.29 -37.36 77.51 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.487 1.915 . . . . 0.0 112.187 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -77.55 -18.3 57.07 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 125.663 1.585 . . . . 0.0 111.307 -167.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 62.59 37.58 12.95 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.275 2.23 . . . . 0.0 110.498 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -95.66 -20.2 19.11 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 121.761 0.791 . . . . 0.0 110.369 -167.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.44 12.64 55.74 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 120.479 -1.388 . . . . 0.0 110.69 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.464 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 74.4 mmtt -135.72 143.97 45.64 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.493 1.117 . . . . 0.0 108.65 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 83.3 mt -94.54 107.44 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 158.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.2 p -85.38 170.57 12.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.9 0.857 . . . . 0.0 110.753 170.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -45.54 -48.82 14.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.625 1.97 . . . . 0.0 112.759 166.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -58.82 -46.57 87.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.552 1.541 . . . . 0.0 112.107 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.961 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -52.68 62.8 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.971 1.308 . . . . 0.0 112.735 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -67.91 -31.97 72.11 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.596 -1.315 . . . . 0.0 113.54 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.76 -37.4 86.49 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.767 -1.208 . . . . 0.0 111.888 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.56 -47.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 O-C-N 120.499 -1.376 . . . . 0.0 111.875 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.7 64.46 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -77.36 -14.82 59.64 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -73.09 -44.1 60.91 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.352 -0.843 . . . . 0.0 110.854 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.37 -37.21 80.21 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.368 -0.833 . . . . 0.0 110.34 170.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.58 25.03 9.54 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.49 124.52 34.58 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -87.34 74.52 9.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 119.978 -1.701 . . . . 0.0 111.522 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.73 145.39 31.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.869 1.268 . . . . 0.0 111.699 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.407 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 28.8 p -95.41 32.79 1.7 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -168.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 67.34 -43.88 0.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.31 1.844 . . . . 0.0 115.353 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.81 -39.18 93.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.72 -1.238 . . . . 0.0 113.286 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 138' ' ' THR . 6.0 pm0 -74.68 -24.84 58.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 119.922 -1.736 . . . . 0.0 112.708 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.51 -43.03 98.38 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.372 -1.455 . . . . 0.0 109.531 166.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.58 -49.45 76.57 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.001 0.921 . . . . 0.0 110.675 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -50.89 -51.62 50.01 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.408 1.083 . . . . 0.0 113.129 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.1 mtm -55.87 -41.84 74.98 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.4 -40.96 56.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.378 -0.826 . . . . 0.0 110.758 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.46 -40.8 97.81 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.939 -1.1 . . . . 0.0 112.562 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.477 ' CD ' ' HZ2' ' A' ' 168' ' ' LYS . 8.7 tp10 -53.28 -54.7 32.46 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.354 2.262 . . . . 0.0 110.966 165.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.6 50.85 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.77 -1.206 . . . . 0.0 114.065 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.7 t70 84.29 92.75 0.03 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 160.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -95.67 1.32 53.48 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.528 -1.357 . . . . 0.0 111.342 161.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.14 -38.87 26.46 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.066 1.346 . . . . 0.0 110.22 -171.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.03 -50.94 0.1 Allowed Glycine 0 C--N 1.353 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 113.335 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.464 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 15.7 t70 -93.8 -41.73 9.49 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 118.127 0.964 . . . . 0.0 110.173 -171.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 106.45 -53.95 0.6 Allowed Glycine 0 C--N 1.351 1.377 0 O-C-N 120.799 -1.188 . . . . 0.0 110.711 171.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -114.58 -160.32 0.73 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 103.757 -2.683 . . . . 0.0 103.757 161.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 6.2 t -116.18 107.63 23.06 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 O-C-N 120.365 -1.459 . . . . 0.0 111.846 -159.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.9 p -87.81 -176.05 5.36 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.44 -2.037 . . . . 0.0 110.816 170.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.46 ' CD ' ' HZ2' ' A' ' 103' ' ' LYS . 2.7 pt-20 -66.58 -31.87 72.84 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.219 -1.55 . . . . 0.0 112.659 -174.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.67 -37.82 87.56 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.208 -0.933 . . . . 0.0 112.254 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.56 -42.11 83.14 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.24 -1.537 . . . . 0.0 110.339 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.52 -43.66 93.34 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.419 -0.8 . . . . 0.0 111.673 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.93 -45.79 82.5 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.165 -1.584 . . . . 0.0 112.022 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -57.85 -46.22 85.12 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.813 1.188 . . . . 0.0 113.57 171.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -37.48 79.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 O-C-N 120.582 -1.323 . . . . 0.0 112.318 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 95.0 mmm -73.84 -45.48 50.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.283 -1.511 . . . . 0.0 112.112 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -71.96 -7.1 46.65 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.474 -1.391 . . . . 0.0 114.343 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . 0.477 ' HZ2' ' CD ' ' A' ' 148' ' ' GLU . 86.4 tttt -49.64 -44.06 47.23 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.959 1.704 . . . . 0.0 111.118 162.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 35.6 m -80.27 85.25 5.81 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 123.67 1.7 . . . . 0.0 109.062 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 43.2 m -113.12 53.07 0.77 Allowed 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 166.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.7 tp 80.21 61.77 0.02 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.397 2.279 . . . . 0.0 108.751 -169.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 73.6 t80 . . . . . 0 C--O 1.257 1.467 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -173.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . 57.07 63.63 1.86 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.372 1.558 . . . . 0.0 110.921 -166.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.35 -67.39 1.0 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 127.093 2.157 . . . . 0.0 106.561 -173.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 29.0 tp -94.74 136.8 34.62 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.425 0.69 . . . . 0.0 110.981 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 58.34 69.57 0.72 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 116.436 2.014 . . . . 0.0 116.436 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -69.75 71.15 0.34 Allowed 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.806 1.409 . . . . 0.0 114.806 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -74.79 -39.36 61.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.326 1.05 . . . . 0.0 111.271 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -149.08 -105.03 0.08 Allowed 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.757 -0.589 . . . . 0.0 109.462 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 5.4 t 53.55 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 128.158 2.583 . . . . 0.0 117.366 -172.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.05 -5.53 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 129.267 3.027 . . . . 0.0 116.273 -153.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.95 -27.06 68.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 118.354 -2.717 . . . . 0.0 111.925 159.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -57.25 -51.26 70.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.652 1.581 . . . . 0.0 110.577 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -45.47 -46.57 13.75 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 126.753 2.021 . . . . 0.0 113.317 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.08 42.22 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.224 -0.922 . . . . 0.0 112.879 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.42 -49.78 65.61 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.971 -1.08 . . . . 0.0 113.501 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 120.819 -1.176 . . . . 0.0 111.194 -174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.78 -21.68 62.46 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.921 -1.112 . . . . 0.0 113.078 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -84.14 -45.18 13.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.532 -0.73 . . . . 0.0 110.269 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.3 p -86.21 -35.86 9.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.26 1.606 0 CA-C-N 119.581 1.082 . . . . 0.0 110.771 -165.609 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.92 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -79.03 167.24 21.37 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.64 -0.662 . . . . 0.0 111.015 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -137.03 -145.44 0.21 Allowed 'General case' 0 C--N 1.348 0.515 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.4 mtt 80.36 144.66 0.08 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.075 2.15 . . . . 0.0 112.863 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.5 m -177.33 160.09 1.64 Allowed 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.75 -67.42 0.82 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.91 1.338 . . . . 0.0 108.434 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -106.62 -23.36 12.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 128.032 2.533 . . . . 0.0 108.587 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -30.47 67.8 Favored 'General case' 0 N--CA 1.435 -1.18 1 C-N-CA 132.518 4.327 . . . . 0.0 113.356 -163.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -57.55 -37.63 73.41 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 125.003 1.321 . . . . 0.0 112.484 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -66.29 -46.34 77.3 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.547 -1.346 . . . . 0.0 112.363 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -36.71 73.64 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 0.0 110.904 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -55.66 -50.41 70.3 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.98 1.712 . . . . 0.0 112.875 170.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.12 -46.21 92.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.876 -1.14 . . . . 0.0 112.668 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.6 -39.67 92.06 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.353 -1.467 . . . . 0.0 113.622 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -66.38 -42.92 87.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.037 -1.664 . . . . 0.0 112.436 171.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.97 84.95 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.896 -1.128 . . . . 0.0 112.509 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.42 -44.51 68.84 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.664 1.586 . . . . 0.0 112.878 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -18.81 57.63 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.21 -34.11 59.26 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.845 1.258 . . . . 0.0 111.06 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -59.32 -59.31 5.66 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 121.11 -0.993 . . . . 0.0 112.723 164.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -88.25 91.14 8.67 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.837 -1.164 . . . . 0.0 114.003 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.54 -26.05 66.96 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.749 -1.219 . . . . 0.0 112.735 170.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -87.16 -18.91 29.28 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.255 0.622 . . . . 0.0 110.082 -158.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 66.87 49.46 1.19 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 122.939 1.352 . . . . 0.0 111.561 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -32.74 25.77 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.94 68.99 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -143.68 146.38 33.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 88.6 mt -90.92 101.5 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 O-C-N 120.045 -1.66 . . . . 0.0 108.401 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 p -80.97 174.33 11.73 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.755 -1.216 . . . . 0.0 110.241 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -49.35 -42.63 42.4 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.489 1.915 . . . . 0.0 111.809 171.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -62.9 -41.35 99.41 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.571 1.548 . . . . 0.0 112.004 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -75.58 -40.77 56.1 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 127.001 2.12 . . . . 0.0 109.07 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -43.81 87.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.604 -1.31 . . . . 0.0 112.978 171.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -61.16 -30.37 70.35 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -56.08 -52.07 65.62 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.758 -1.214 . . . . 0.0 111.337 172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.19 -40.76 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.821 0.848 . . . . 0.0 111.137 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.85 75.55 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 171.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -63.0 -53.34 55.45 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 123.849 0.859 . . . . 0.0 112.679 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.2 -30.62 67.77 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.83 -40.63 28.11 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 167.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.7 64.67 1.25 Allowed Glycine 0 C--N 1.352 1.449 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.28 167.35 22.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.32 -17.26 32.83 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 112.275 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.87 179.03 7.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.658 1.183 . . . . 0.0 111.107 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 m -104.87 -73.14 0.69 Allowed 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 120.226 -1.546 . . . . 0.0 108.088 -169.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -150.23 2.07 0.48 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.239 2.215 . . . . 0.0 110.353 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -66.0 -47.05 75.79 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 126.64 1.976 . . . . 0.0 108.117 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -30.04 -63.0 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 129.827 3.251 . . . . 0.0 114.023 172.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -69.93 -45.69 66.98 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 121.952 -0.467 . . . . 0.0 110.027 -173.013 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.49 -45.64 93.01 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.807 -0.558 . . . . 0.0 112.002 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -51.93 67.68 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 125.222 1.409 . . . . 0.0 111.307 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.0 mtm -59.05 -43.9 91.73 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -57.04 -54.09 34.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 C-N-CA 124.35 1.06 . . . . 0.0 111.053 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.57 -36.87 85.63 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.274 1.03 . . . . 0.0 112.347 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.915 -1.116 . . . . 0.0 112.033 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.8 -52.96 10.06 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -78.95 101.13 7.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.063 1.411 . . . . 0.0 110.678 -171.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -97.91 -26.83 14.53 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.524 -171.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.24 -31.91 21.43 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.148 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.33 74.38 1.16 Allowed Glycine 0 C--N 1.358 1.796 0 CA-C-N 120.121 1.328 . . . . 0.0 112.618 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.36 -54.38 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.63 -44.74 1.26 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -102.07 150.51 23.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 123.213 1.482 . . . . 0.0 107.848 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.3 104.8 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 O-C-N 120.033 -1.667 . . . . 0.0 108.165 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 80.9 p -69.32 175.68 3.81 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.311 1.053 . . . . 0.0 112.913 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -55.39 24.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 126.64 1.976 . . . . 0.0 110.712 172.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.29 -50.81 58.59 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 113.858 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.74 -36.98 83.72 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.734 -1.228 . . . . 0.0 112.471 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -65.41 -44.48 87.3 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.953 -1.092 . . . . 0.0 112.116 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.59 -42.02 98.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.153 -1.592 . . . . 0.0 111.973 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -60.77 -46.04 92.02 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 113.322 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -41.22 90.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 120.582 -1.324 . . . . 0.0 112.035 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.9 -42.4 66.8 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.199 -1.563 . . . . 0.0 113.045 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -71.97 -15.56 62.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.399 -1.438 . . . . 0.0 113.282 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -43.3 -48.52 6.8 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.67 1.988 . . . . 0.0 113.101 169.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 18.7 m -80.14 69.87 6.63 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 122.9 1.333 . . . . 0.0 110.358 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 29.6 m -96.4 1.46 51.75 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.091 0.957 . . . . 0.0 110.401 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -20.27 19.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.318 1.047 . . . . 0.0 111.347 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--O 1.262 1.753 0 C-N-CA 126.998 2.119 . . . . 0.0 109.526 -168.251 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 38.3 mtp-105 . . . . . 0 N--CA 1.511 2.594 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -77.93 -108.44 0.02 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.874 3.67 . . . . 0.0 110.723 0.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -76.35 179.19 5.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.97 146.15 31.83 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 121.185 -0.947 . . . . 0.0 108.549 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -144.59 169.76 17.37 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 73.2 m80 68.86 17.86 8.65 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.979 1.312 . . . . 0.0 114.143 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -74.5 130.18 39.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.88 1.272 . . . . 0.0 108.349 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -159.27 -171.48 3.36 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.409 -1.432 . . . . 0.0 109.992 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 23.3 t -92.97 -152.59 0.33 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.894 1.677 . . . . 0.0 108.283 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 37.3 t 70.18 -50.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.637 0 C-N-CA 127.978 2.511 . . . . 0.0 112.963 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 25.2 tp -47.49 -24.46 0.84 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 130.624 3.57 . . . . 0.0 116.528 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -61.38 -24.23 66.34 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.24 -1.537 . . . . 0.0 112.718 170.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -51.18 46.55 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.51 1.524 . . . . 0.0 111.83 166.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.18 36.73 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 121.512 -0.742 . . . . 0.0 110.646 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.3 -54.18 23.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 121.184 -0.948 . . . . 0.0 113.188 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -82.27 -28.18 31.94 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 120.464 -1.398 . . . . 0.0 111.799 -165.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.21 -4.58 57.36 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.673 0.669 . . . . 0.0 111.893 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -88.4 -45.72 9.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.259 -0.901 . . . . 0.0 108.887 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.3 p -72.93 -37.1 53.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 120.585 -1.322 . . . . 0.0 114.005 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.261 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 178.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.529 3.504 0 CA-C-O 112.551 -3.595 . . . . 0.0 103.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -139.31 154.6 47.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 121.985 2.175 . . . . 0.0 106.559 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -147.46 146.48 29.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.1 ttt -127.46 139.77 52.59 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.439 -0.788 . . . . 0.0 109.546 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -81.6 76.51 8.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.062 0.934 . . . . 0.0 109.154 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.66 146.75 26.7 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 122.951 1.358 . . . . 0.0 113.07 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.94 32.69 1.02 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 173.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.98 -59.29 0.09 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 -151.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.28 1.2 p -61.22 -48.0 83.49 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.868 -1.77 . . . . 0.0 114.612 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -56.97 -35.11 68.77 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 121.825 2.102 . . . . 0.0 114.904 170.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' A' ' 108' ' ' LYS . 3.3 tp10 -60.49 -50.63 72.81 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.438 1.095 . . . . 0.0 110.607 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' CD ' HH11 ' B' ' 653' ' ' ARG . 27.4 tt0 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.52 -1.363 . . . . 0.0 113.38 173.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.69 -47.46 91.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.417 -1.427 . . . . 0.0 111.378 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.65 -42.77 97.65 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.746 -1.221 . . . . 0.0 112.186 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HZ2' ' CD ' ' A' ' 104' ' ' GLU . 12.7 mptt -63.76 -43.14 97.3 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.025 -1.672 . . . . 0.0 113.005 172.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.99 93.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.65 1.58 . . . . 0.0 112.932 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -53.65 -43.01 68.45 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 125.184 1.394 . . . . 0.0 111.561 170.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU . 3.5 ttpt -78.14 -12.95 60.03 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.06 -37.7 33.36 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.012 -1.68 . . . . 0.0 109.866 169.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -59.14 -60.92 3.1 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.518 0.727 . . . . 0.0 112.785 163.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -68.12 93.69 0.46 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.43 -39.86 73.78 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 127.435 2.294 . . . . 0.0 114.762 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -87.76 -21.9 24.87 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.617 1.167 . . . . 0.0 109.397 -171.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.54 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 18.4 mt-10 69.91 42.7 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.993 2.117 . . . . 0.0 108.921 -171.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.76 -35.78 15.53 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.913 1.285 . . . . 0.0 110.608 -165.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.59 28.04 3.11 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 124.598 1.094 . . . . 0.0 111.427 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.451 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 68.0 mttt -154.13 145.45 22.99 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.287 1.041 . . . . 0.0 110.785 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.0 mt -95.06 100.3 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.0 t -86.9 172.5 10.01 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 120.683 -1.26 . . . . 0.0 110.301 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.04 -40.97 70.81 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 125.556 1.542 . . . . 0.0 111.031 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -51.76 55.73 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 128.4 2.68 . . . . 0.0 111.486 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -70.07 -41.39 74.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 126.332 1.853 . . . . 0.0 111.363 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -53.35 58.68 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.407 1.483 . . . . 0.0 111.361 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -66.22 -34.12 77.29 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.584 0.754 . . . . 0.0 112.879 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.481 ' HE ' ' CD ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -56.92 -51.91 67.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 121.019 -1.051 . . . . 0.0 112.498 171.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.8 -41.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 120.085 -1.634 . . . . 0.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.6 -44.67 66.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 170.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -83.03 1.56 39.42 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.481 ' CD ' ' HE ' ' A' ' 128' ' ' ARG . 18.3 mm-40 -82.55 -47.08 12.56 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 119.915 -1.741 . . . . 0.0 109.338 163.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.47 -43.11 73.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.329 0.652 . . . . 0.0 112.165 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 26.85 8.14 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -87.79 115.9 25.57 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.815 0.817 . . . . 0.0 109.29 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -79.32 53.69 1.55 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -171.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.67 147.61 27.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.851 1.31 . . . . 0.0 111.424 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.3 m -83.82 153.7 23.91 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.213 1.405 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.59 -39.59 50.22 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.885 1.674 . . . . 0.0 115.381 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.73 -42.49 75.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.037 1.735 . . . . 0.0 112.983 171.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.69 -36.84 70.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.132 1.373 . . . . 0.0 111.121 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -40.89 94.62 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.723 -1.235 . . . . 0.0 110.934 171.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -66.68 -41.31 88.28 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.37 -0.831 . . . . 0.0 112.44 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.27 -48.82 54.71 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.89 1.276 . . . . 0.0 112.398 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.8 mtm -55.32 -49.18 72.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.92 -53.97 35.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 121.421 -0.799 . . . . 0.0 111.836 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.161 1.385 . . . . 0.0 112.297 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.511 ' CD ' ' HZ1' ' A' ' 168' ' ' LYS . 35.0 tt0 -60.75 -46.63 89.68 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.472 171.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.56 -47.63 31.51 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 121.295 -0.878 . . . . 0.0 112.43 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -76.81 68.79 3.07 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 124.202 1.953 . . . . 0.0 111.976 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -63.01 -30.23 71.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.75 2.02 . . . . 0.0 113.195 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.48 -24.66 16.55 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 118.679 -0.677 . . . . 0.0 112.786 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.33 54.2 1.03 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 120.526 1.512 . . . . 0.0 114.246 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.451 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 33.0 t70 -85.78 -27.35 25.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.132 1.373 . . . . 0.0 109.358 169.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 99.59 0.02 56.69 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 120.466 -1.396 . . . . 0.0 110.898 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -170.05 172.5 6.43 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 103.471 -2.788 . . . . 0.0 103.471 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.6 t -117.9 114.98 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 CA-C-O 122.201 1.0 . . . . 0.0 110.943 -156.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.7 t -83.78 179.98 7.44 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.184 0.992 . . . . 0.0 110.948 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.97 -49.76 74.79 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.791 1.636 . . . . 0.0 112.048 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.78 -41.18 70.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.54 1.536 . . . . 0.0 113.005 171.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -68.18 -39.1 82.6 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.635 -1.291 . . . . 0.0 111.295 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.03 -42.53 89.46 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.97 -1.081 . . . . 0.0 111.989 173.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.65 -37.11 86.46 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.41 -1.431 . . . . 0.0 113.244 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -57.75 -51.61 68.85 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.798 1.239 . . . . 0.0 112.755 168.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.77 76.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 120.646 -1.284 . . . . 0.0 112.228 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 17.9 mmt -66.06 -25.69 67.15 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.142 -2.224 . . . . 0.0 113.579 170.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -73.46 -35.71 65.76 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.654 -1.279 . . . . 0.0 112.574 169.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . 0.511 ' HZ1' ' CD ' ' A' ' 148' ' ' GLU . 1.6 tttt -55.49 -53.96 49.87 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.889 1.275 . . . . 0.0 111.977 170.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.2 m -82.21 89.03 6.48 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.022 -1.049 . . . . 0.0 113.164 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.8 p -79.33 28.69 0.24 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 126.436 1.894 . . . . 0.0 112.876 171.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 14.9 tp 66.0 36.21 5.97 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 126.62 1.968 . . . . 0.0 109.386 -161.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.259 1.563 0 C-N-CA 127.963 2.505 . . . . 0.0 112.418 -168.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 . . . . . 0 N--CA 1.513 2.699 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . 0.272 . . -85.54 -85.83 0.14 Allowed 'General case' 0 C--N 1.357 0.932 0 C-N-CA 128.859 2.864 . . . . 0.0 111.438 2.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.01 -177.57 4.27 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 124.893 3.497 . . . . 0.0 112.699 16.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 93.8 mt -114.21 -40.47 3.67 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 126.783 2.033 . . . . 0.0 108.313 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -163.09 -11.85 0.03 OUTLIER 'General case' 0 C--N 1.356 0.857 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . 0.406 ' HE2' ' CE1' ' B' ' 648' ' ' HIS . 34.8 t60 -80.3 120.4 24.32 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.214 -1.554 . . . . 0.0 110.55 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -111.79 131.09 55.56 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.406 ' CE1' ' HE2' ' B' ' 646' ' ' HIS . 99.8 m-70 -67.0 140.24 57.7 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.125 -1.609 . . . . 0.0 114.042 -168.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 50.3 m -78.88 127.08 31.56 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.795 1.238 . . . . 0.0 113.7 -167.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 3.9 m -143.53 171.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 1 C-N-CA 132.273 4.229 . . . . 0.0 104.592 -14.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 24.0 tp 68.57 -52.32 0.56 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 127.354 2.261 . . . . 0.0 115.964 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -46.73 -47.01 20.7 Favored 'General case' 0 CA--C 1.503 -0.863 0 C-N-CA 126.407 1.883 . . . . 0.0 111.6 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.443 HH11 ' CD ' ' A' ' 105' ' ' GLU . 97.1 mtt180 -6.63 -70.27 0.0 OUTLIER 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.081 3.352 . . . . 0.0 115.894 152.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.37 -24.85 36.77 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 124.223 1.009 . . . . 0.0 111.507 -168.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 15.7 tp -83.87 -45.48 13.19 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 121.616 0.722 . . . . 0.0 111.066 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.68 -47.1 82.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.468 1.507 . . . . 0.0 111.504 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -80.74 -0.06 36.82 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 121.141 -0.974 . . . . 0.0 112.396 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -82.67 -58.55 2.85 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.325 -1.484 . . . . 0.0 108.127 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.96 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.265 1.878 0 CA-C-O 116.427 -1.749 . . . . 0.0 110.945 176.148 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.516 2.871 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -124.21 -122.52 0.26 Allowed 'General case' 0 C--N 1.348 0.53 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 166.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -79.12 158.69 27.72 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.225 -0.922 . . . . 0.0 111.465 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 mmt -102.41 149.18 24.62 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -163.74 143.71 8.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 119.901 -1.749 . . . . 0.0 107.454 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -151.28 -110.54 0.05 Allowed 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -174.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -74.45 -13.93 60.77 Favored 'General case' 0 C--N 1.358 0.955 0 O-C-N 119.345 -2.097 . . . . 0.0 113.88 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.91 -33.4 71.8 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.48 1.912 . . . . 0.0 112.602 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.2 p -62.46 -63.25 1.28 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.531 0.732 . . . . 0.0 112.721 -173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -64.75 -31.95 73.41 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.796 -1.815 . . . . 0.0 112.445 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -51.79 68.47 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.209 1.368 . . . . 0.0 111.744 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.01 -46.25 91.51 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.886 1.275 . . . . 0.0 110.985 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.3 mm -69.02 -41.78 81.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 113.328 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.36 -41.48 85.02 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.758 -1.839 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -58.86 -48.77 80.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.697 -1.252 . . . . 0.0 111.589 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.83 86.92 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 113.762 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.82 -47.64 70.69 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.711 1.604 . . . . 0.0 112.09 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -78.17 -18.73 55.17 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.25 -34.78 78.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.378 -1.451 . . . . 0.0 112.554 162.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -67.88 -54.8 16.08 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.802 -1.186 . . . . 0.0 112.824 163.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.97 70.49 0.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.985 1.714 . . . . 0.0 113.69 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.16 -45.48 75.71 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 127.138 2.175 . . . . 0.0 113.782 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -7.45 59.48 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.047 1.339 . . . . 0.0 111.596 -163.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 64.1 60.18 1.01 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.318 1.447 . . . . 0.0 112.729 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 t -111.8 -22.34 11.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.301 -0.875 . . . . 0.0 110.126 173.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.72 28.93 44.94 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 119.046 0.839 . . . . 0.0 111.407 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -147.53 147.23 29.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 64.9 mt -96.64 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 CA-C-O 122.2 1.0 . . . . 0.0 108.89 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.2 p -78.69 167.29 21.44 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 122.433 1.111 . . . . 0.0 112.641 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -57.33 -40.86 78.87 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.009 1.724 . . . . 0.0 110.507 170.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.04 -47.69 84.3 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.496 1.918 . . . . 0.0 111.796 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.53 -46.81 87.79 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.5 1.12 . . . . 0.0 112.088 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -50.52 55.21 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.218 1.407 . . . . 0.0 112.594 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -75.44 -17.08 60.26 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -65.27 -52.4 54.59 Favored 'General case' 0 C--N 1.363 1.178 0 O-C-N 120.298 -1.502 . . . . 0.0 109.419 163.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.9 t -57.06 -45.03 83.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.027 0.931 . . . . 0.0 111.946 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.74 -47.43 64.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 172.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -23.99 58.44 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.765 -1.21 . . . . 0.0 113.384 177.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -68.04 -44.11 77.17 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 121.254 -0.904 . . . . 0.0 112.374 173.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.83 -39.78 63.8 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 121.033 -1.042 . . . . 0.0 111.143 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.06 41.97 1.86 Allowed Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -82.71 120.1 25.16 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.906 0.86 . . . . 0.0 111.539 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 58.83 5.27 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.705 -1.247 . . . . 0.0 109.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 164.43 12.25 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.292 1.037 . . . . 0.0 112.025 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.1 p -90.24 164.47 14.38 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.024 -1.047 . . . . 0.0 110.836 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -60.01 0.95 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 129.487 3.115 . . . . 0.0 114.351 168.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.33 -36.02 30.29 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.843 2.057 . . . . 0.0 115.439 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.099 -1.625 . . . . 0.0 112.184 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.77 -43.11 89.84 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.674 -1.266 . . . . 0.0 110.517 171.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -48.49 79.89 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.092 1.757 . . . . 0.0 111.943 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -49.5 -53.25 24.31 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 127.228 2.211 . . . . 0.0 111.77 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 mtm -57.46 -37.82 73.48 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.91 -51.42 55.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.286 -1.509 . . . . 0.0 111.683 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.35 -36.85 79.86 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.854 0.862 . . . . 0.0 111.609 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.89 -55.49 31.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.959 1.703 . . . . 0.0 112.47 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.21 -51.33 12.3 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -165.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -80.06 59.43 3.26 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -159.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -66.53 -49.17 67.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.534 1.534 . . . . 0.0 114.282 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -114.74 26.04 10.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.069 -1.019 . . . . 0.0 108.559 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.28 -107.32 2.5 Favored Glycine 0 C--N 1.358 1.793 0 O-C-N 121.452 -0.78 . . . . 0.0 114.651 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.73 -41.46 0.44 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.616 1.166 . . . . 0.0 109.667 -164.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.73 -31.45 1.89 Allowed Glycine 0 C--N 1.354 1.53 0 O-C-N 120.545 -1.347 . . . . 0.0 109.908 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -133.77 154.15 51.2 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 9.2 t -78.2 113.45 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 CA-C-O 121.369 0.604 . . . . 0.0 112.46 -142.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 163.18 22.39 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.54 -0.725 . . . . 0.0 111.393 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.334 -1.479 . . . . 0.0 113.656 -170.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.61 -41.02 84.92 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.519 1.128 . . . . 0.0 110.667 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -79.85 -42.41 24.34 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 125.023 1.329 . . . . 0.0 109.616 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -59.15 -48.08 82.93 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.731 -0.605 . . . . 0.0 111.864 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.02 -28.03 62.11 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.023 -1.673 . . . . 0.0 113.288 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -58.65 -52.82 64.05 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.135 1.334 . . . . 0.0 112.58 171.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.55 -32.86 60.07 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 121.478 -0.764 . . . . 0.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.5 mmt -72.36 -43.46 63.99 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.336 -0.853 . . . . 0.0 112.362 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -55.54 -27.11 46.93 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.307 1.843 . . . . 0.0 113.806 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -54.21 -25.18 21.5 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 168.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.4 m -147.28 64.66 1.15 Allowed 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.647 -1.908 . . . . 0.0 109.412 158.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 30.9 p -81.46 -44.98 16.67 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 162.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.91 105.8 3.14 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 164.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--O 1.257 1.466 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 178.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 . . . . . 0 N--CA 1.511 2.611 0 CA-C-O 119.15 -0.452 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -92.47 17.83 9.41 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 130.686 3.594 . . . . 0.0 112.497 0.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -59.57 151.34 24.72 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.735 2.014 . . . . 0.0 113.938 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 75.3 mt -127.33 150.92 49.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -123.63 -91.43 0.55 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-O 120.724 0.297 . . . . 0.0 111.006 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -75.19 57.77 0.88 Allowed 'General case' 0 C--N 1.352 0.686 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -80.78 174.34 11.71 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.803 1.241 . . . . 0.0 111.955 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 62.48 30.15 17.17 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.055 1.342 . . . . 0.0 114.212 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 77.3 p -90.14 -170.89 2.93 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.272 1.034 . . . . 0.0 111.433 -173.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.17 48.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 119.802 -1.811 . . . . 0.0 112.476 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 18.9 tp -95.82 -25.08 16.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.779 1.631 . . . . 0.0 112.206 -166.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -41.72 99.51 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 126.116 1.766 . . . . 0.0 110.664 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -44.64 -60.32 2.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.392 1.877 . . . . 0.0 112.623 165.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.37 96.16 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.126 1.37 . . . . 0.0 112.54 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.99 -49.75 66.73 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 112.272 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -72.97 -32.76 65.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.63 -1.294 . . . . 0.0 113.507 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.23 61.13 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.512 -1.367 . . . . 0.0 112.545 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -86.73 -56.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 123.782 0.833 . . . . 0.0 110.024 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.33 -29.75 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 120.846 -1.159 . . . . 0.0 110.731 -168.506 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.518 2.963 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -89.9 152.51 21.2 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -152.59 141.98 21.62 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.352 -2.833 . . . . 0.0 103.352 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 21.0 mmt -120.03 149.72 41.72 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 m -118.35 -52.53 2.38 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -126.52 -41.39 1.87 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 124.437 1.095 . . . . 0.0 110.033 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -153.45 -136.06 0.06 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 108' ' ' LYS . 42.7 t0 -118.78 -71.92 0.71 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 158.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -15.77 -65.53 0.01 OUTLIER 'General case' 0 C--N 1.355 0.835 0 N-CA-C 119.833 3.271 . . . . 0.0 119.833 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.4 -46.59 82.64 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.561 -1.337 . . . . 0.0 113.147 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.41 -15.4 57.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 121.051 -1.031 . . . . 0.0 110.789 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.47 -32.71 74.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.575 -1.328 . . . . 0.0 112.721 164.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mt -63.24 -41.81 94.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 119.666 -1.896 . . . . 0.0 110.504 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.83 -45.51 92.25 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.686 -1.258 . . . . 0.0 113.249 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 101' ' ' ASP . 31.0 ttmt -50.97 -53.02 36.81 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.66 1.984 . . . . 0.0 111.806 170.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.19 97.02 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.349 1.459 . . . . 0.0 112.555 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.76 -44.76 77.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.462 1.105 . . . . 0.0 112.347 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -77.37 -26.97 52.39 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.654 -1.279 . . . . 0.0 114.365 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.47 -35.16 79.54 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.579 -1.951 . . . . 0.0 111.527 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.45 -61.46 2.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 158.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -71.47 68.37 0.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.603 1.561 . . . . 0.0 114.814 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.65 -32.02 67.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 129.381 3.072 . . . . 0.0 110.134 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.427 ' CG ' ' HZ3' ' A' ' 124' ' ' LYS . 15.9 t70 -74.23 -17.32 60.9 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.297 1.839 . . . . 0.0 111.213 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 58.34 41.0 23.85 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.53 2.332 . . . . 0.0 113.383 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -97.76 -11.15 23.72 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.07 -1.019 . . . . 0.0 112.263 -172.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.74 25.29 53.74 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 120.696 -1.253 . . . . 0.0 110.914 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -152.22 148.25 27.35 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 65.5 mt -84.05 91.86 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 160.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -64.37 159.72 20.57 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.386 1.874 . . . . 0.0 111.745 170.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -56.25 -35.71 67.72 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.367 1.467 . . . . 0.0 110.99 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.427 ' HZ3' ' CG ' ' A' ' 116' ' ' ASP . 43.6 mtmt -59.87 -52.37 65.72 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.91 1.284 . . . . 0.0 112.01 171.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.78 -43.29 99.14 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.165 1.786 . . . . 0.0 111.37 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -54.24 48.1 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.509 1.523 . . . . 0.0 112.078 173.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -27.7 64.24 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.75 -1.219 . . . . 0.0 114.176 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -57.21 -51.0 71.1 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.081 1.353 . . . . 0.0 111.78 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.51 -45.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 121.303 -0.873 . . . . 0.0 112.164 175.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -34.98 60.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -60.94 -55.4 33.41 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 121.256 -0.903 . . . . 0.0 111.579 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.22 -10.9 59.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 112.628 -165.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.46 -33.46 75.75 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.218 -0.926 . . . . 0.0 112.507 159.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.96 38.97 10.62 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 136' ' ' ASN . 2.0 tm-20 -90.05 -176.92 5.04 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.096 1.427 . . . . 0.0 113.546 -172.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.535 ' H ' ' CD ' ' A' ' 135' ' ' GLU . 48.1 m-80 -123.7 -38.46 2.51 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.458 2.703 . . . . 0.0 108.767 -164.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 148.05 23.2 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 21.9 p -101.67 -175.35 2.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 111.98 -167.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -66.62 -30.6 70.91 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -166.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.88 -42.85 69.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.337 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.13 -45.98 83.04 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.716 -1.24 . . . . 0.0 111.886 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.18 -38.06 82.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.058 1.343 . . . . 0.0 113.305 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -46.93 83.22 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.144 1.378 . . . . 0.0 111.502 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.67 -30.58 71.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.716 -1.24 . . . . 0.0 112.561 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mtt -55.58 -46.27 77.25 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 120.776 -1.203 . . . . 0.0 113.801 166.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.13 -49.55 81.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 124.606 1.162 . . . . 0.0 111.329 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -55.23 -53.24 58.55 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.474 1.11 . . . . 0.0 111.497 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -71.83 -22.5 61.54 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.658 -1.276 . . . . 0.0 113.646 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.51 -58.31 3.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.376 -1.452 . . . . 0.0 112.368 166.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -88.03 75.33 8.76 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.722 -1.236 . . . . 0.0 110.106 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -65.02 -33.47 76.11 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.78 -41.1 38.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.829 1.251 . . . . 0.0 110.674 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.53 73.31 1.1 Allowed Glycine 0 C--N 1.353 1.48 0 O-C-N 121.592 -0.692 . . . . 0.0 112.526 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -85.08 -43.87 13.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 162.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 139.91 -40.29 1.42 Allowed Glycine 0 CA--C 1.487 -1.708 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 170.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -127.44 158.78 36.43 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.407 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 44.9 t -87.92 113.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 O-C-N 120.944 -1.097 . . . . 0.0 111.281 -159.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.36 176.21 9.55 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.665 -1.272 . . . . 0.0 112.32 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -54.21 42.23 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.959 1.304 . . . . 0.0 111.705 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -43.11 -46.7 5.89 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 126.011 1.725 . . . . 0.0 114.96 163.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.19 -39.63 78.56 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.059 -1.651 . . . . 0.0 111.69 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -61.85 -47.08 86.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.36 -0.837 . . . . 0.0 111.48 171.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.94 -48.05 76.45 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.525 1.13 . . . . 0.0 112.175 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -55.59 -52.61 63.19 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.933 1.293 . . . . 0.0 113.894 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.82 -38.95 83.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 O-C-N 121.042 -1.036 . . . . 0.0 112.679 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 94.3 mmm -68.29 -38.66 81.89 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 121.253 -0.905 . . . . 0.0 112.075 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.52 -25.63 64.65 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -55.21 -46.16 75.91 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 120.907 -1.121 . . . . 0.0 112.458 167.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 6.3 m -93.41 58.44 2.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.695 1.235 . . . . 0.0 108.968 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 69.8 p -81.6 -31.71 32.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.006 -1.059 . . . . 0.0 111.285 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -105.91 -28.8 10.38 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.726 1.21 . . . . 0.0 112.265 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.262 1.759 0 C-N-CA 126.562 1.945 . . . . 0.0 111.731 -170.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 112.738 -3.506 . . . . 0.0 103.541 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -145.05 -177.31 5.47 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.13 -175.52 4.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -156.36 -65.11 0.11 Allowed 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -157.3 53.82 0.49 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -106.4 -65.59 1.07 Allowed 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 124.128 0.971 . . . . 0.0 111.809 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -83.61 123.81 30.17 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.855 -1.153 . . . . 0.0 111.995 -172.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -157.76 0.24 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.603 1.161 . . . . 0.0 112.824 -176.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 99.5 p -74.8 152.77 38.96 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.285 -1.51 . . . . 0.0 109.96 168.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.24 6.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -167.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 17.6 tp -81.48 -15.11 56.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.231 2.212 . . . . 0.0 110.674 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -52.37 -38.71 59.51 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.663 1.585 . . . . 0.0 112.737 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -36.58 -50.6 0.81 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.354 2.662 . . . . 0.0 114.656 166.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.35 -45.2 26.83 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.523 -0.736 . . . . 0.0 111.459 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.32 -36.55 58.23 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.213 -0.93 . . . . 0.0 112.849 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.91 -42.68 66.44 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.315 -1.491 . . . . 0.0 110.993 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.67 -18.74 65.53 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.364 -1.46 . . . . 0.0 113.44 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.16 -59.07 3.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.299 1.44 . . . . 0.0 111.158 166.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.26 -19.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.266 1.967 0 O-C-N 119.664 -1.897 . . . . 0.0 112.317 -169.478 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.516 2.86 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -83.07 79.41 9.37 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 122.076 0.941 . . . . 0.0 111.517 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -159.08 -84.4 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.0 mtt 55.51 -121.66 1.74 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.687 1.195 . . . . 0.0 111.273 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.0 p 71.99 9.37 6.08 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 164.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.74 139.45 41.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.229 -0.919 . . . . 0.0 112.611 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HZ1' ' CG ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -171.31 -158.13 0.13 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -174.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.452 ' CG ' ' HZ1' ' A' ' 100' ' ' LYS . 6.6 m-20 11.01 -80.62 0.0 OUTLIER 'General case' 0 C--N 1.355 0.834 1 C-N-CA 132.161 4.184 . . . . 0.0 118.256 -174.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -66.23 -14.53 62.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.276 -1.515 . . . . 0.0 113.273 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -66.19 -35.38 80.31 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.859 -2.4 . . . . 0.0 112.546 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -34.79 72.4 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 120.981 -1.074 . . . . 0.0 109.832 172.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.11 -45.31 91.23 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.119 0.568 . . . . 0.0 112.517 169.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.78 -45.82 97.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.553 -1.342 . . . . 0.0 111.414 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.93 -45.46 90.32 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.668 -1.27 . . . . 0.0 112.279 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.63 -47.1 86.92 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.26 1.424 . . . . 0.0 112.466 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.69 73.51 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.998 2.119 . . . . 0.0 112.799 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -54.87 -46.54 74.73 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.298 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -71.31 -33.78 69.98 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' B' ' 648' ' ' HIS . 96.1 mt -65.78 -35.61 81.18 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.555 -1.34 . . . . 0.0 112.288 172.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.69 -58.77 5.37 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 121.098 -1.001 . . . . 0.0 112.912 163.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -71.47 81.65 0.79 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 123.39 1.567 . . . . 0.0 112.609 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -47.11 -40.32 15.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 131.577 3.951 . . . . 0.0 112.819 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' A' ' 124' ' ' LYS . 12.8 m-20 -85.4 -36.68 20.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.586 1.155 . . . . 0.0 110.84 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.25 45.5 mt-10 74.19 47.17 0.15 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.958 2.103 . . . . 0.0 110.027 -172.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 t -88.94 -16.31 32.13 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.752 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.57 24.38 12.34 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 124.678 1.132 . . . . 0.0 110.529 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -153.22 143.33 22.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 122.2 1.0 . . . . 0.0 109.245 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.18 89.16 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 120.236 -1.54 . . . . 0.0 107.906 166.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -68.37 167.99 13.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 112.142 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.8 -41.5 95.76 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.672 1.589 . . . . 0.0 111.264 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' A' ' 116' ' ' ASP . 28.0 ttpp -56.17 -45.48 79.69 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 111.941 170.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.89 -34.22 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.85 1.26 . . . . 0.0 110.136 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -57.67 11.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.365 1.466 . . . . 0.0 112.289 164.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.436 ' HZ3' ' CG ' ' A' ' 139' ' ' ASP . 1.5 ptmm? -71.13 -23.28 62.05 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -176.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -56.99 -58.08 9.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.211 1.804 . . . . 0.0 110.866 166.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.93 -40.48 62.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 C-N-CA 125.01 1.324 . . . . 0.0 113.045 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.27 -49.83 52.09 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.926 0.89 . . . . 0.0 112.905 170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.28 -37.13 69.1 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.429 -1.42 . . . . 0.0 113.837 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.44 -42.47 96.15 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.777 1.171 . . . . 0.0 112.258 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.86 -44.83 54.26 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.402 -0.812 . . . . 0.0 111.832 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.29 -2.23 22.28 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 121.57 -0.706 . . . . 0.0 111.398 -176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.14 97.53 1.96 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.92 1.688 . . . . 0.0 109.609 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -91.28 75.28 6.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.93 -1.731 . . . . 0.0 111.082 -173.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mp -81.47 160.27 24.01 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.525 0.73 . . . . 0.0 110.915 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.47 162.98 20.77 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.422 1.089 . . . . 0.0 109.437 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.436 ' CG ' ' HZ3' ' A' ' 127' ' ' LYS . 1.6 m-20 -68.2 -34.35 76.1 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.066 -1.646 . . . . 0.0 111.217 -171.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.21 -53.06 23.16 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 127.687 2.395 . . . . 0.0 113.415 165.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.75 -42.13 86.71 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 111.229 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.1 mt -59.63 -41.02 89.52 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.654 1.182 . . . . 0.0 111.967 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -66.49 -42.49 87.35 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.714 1.205 . . . . 0.0 111.859 172.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -57.33 -40.32 77.72 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.754 -1.216 . . . . 0.0 112.938 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.6 mtm -56.47 -48.53 76.91 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.468 -1.395 . . . . 0.0 113.673 167.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.0 mm -55.84 -46.73 80.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.484 -1.385 . . . . 0.0 112.027 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -44.06 93.9 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.544 1.538 . . . . 0.0 113.715 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -53.88 -43.56 69.71 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.283 1.433 . . . . 0.0 112.486 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.95 -51.1 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -82.67 71.64 9.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.745 1.736 . . . . 0.0 109.651 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.54 -8.37 59.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.602 1.161 . . . . 0.0 112.09 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.29 -44.36 12.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.006 0.923 . . . . 0.0 109.225 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.4 47.35 0.87 Allowed Glycine 0 C--N 1.359 1.821 0 O-C-N 120.768 -1.208 . . . . 0.0 113.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.71 -54.35 4.3 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 119.18 11.24 7.6 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 125.117 1.342 . . . . 0.0 110.958 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -155.98 125.57 6.34 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -169.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.22 127.07 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 O-C-N 120.719 -1.238 . . . . 0.0 112.087 -155.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.6 p -72.73 173.25 9.33 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.956 1.302 . . . . 0.0 112.597 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -46.53 76.51 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.684 -1.26 . . . . 0.0 109.535 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.57 -32.18 64.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.807 0.843 . . . . 0.0 112.863 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -37.01 76.09 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.306 -1.496 . . . . 0.0 110.617 174.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -59.96 -51.14 70.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.427 0.691 . . . . 0.0 111.46 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.09 -42.42 80.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.68 -1.262 . . . . 0.0 113.793 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.59 -53.39 55.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.794 1.238 . . . . 0.0 112.117 171.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.303 2.4 pp -68.1 -36.28 74.77 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 119.925 1.239 . . . . 0.0 114.02 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 96.1 mmm -67.97 -34.25 76.21 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 121.151 -0.968 . . . . 0.0 111.815 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -73.18 -40.9 64.42 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.949 -1.094 . . . . 0.0 112.036 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -60.7 -53.2 60.31 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.542 1.137 . . . . 0.0 113.426 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 23.7 m -80.59 76.58 7.45 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 120.634 1.561 . . . . 0.0 110.478 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 91.8 p -92.09 47.14 1.31 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.508 -1.37 . . . . 0.0 108.692 167.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.1 tp 62.01 62.41 1.23 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.427 1.891 . . . . 0.0 109.362 -164.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.259 1.563 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -160.642 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . 0.587 ' H1 ' ' CG ' ' B' ' 643' ' ' ASP . 52.8 mtm180 . . . . . 0 N--CA 1.51 2.571 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -81.74 70.07 8.55 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.439 -1.413 . . . . 0.0 109.221 167.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . 0.587 ' CG ' ' H1 ' ' B' ' 641' ' ' ARG . 3.3 m-20 -88.09 -50.72 6.21 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -165.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 35.6 tp -129.84 133.92 47.22 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 130.717 3.607 . . . . 0.0 106.75 -3.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -120.24 123.89 44.32 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 131.517 3.927 . . . . 0.0 105.213 -16.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -124.04 116.09 22.25 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 111.59 -165.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.92 101.48 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.025 -1.047 . . . . 0.0 108.363 164.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.415 ' CD2' HD21 ' A' ' 112' ' ' LEU . 99.1 m-70 -76.1 69.68 2.7 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.363 -0.836 . . . . 0.0 112.762 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 23.6 t -37.52 -54.97 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.409 2.684 . . . . 0.0 115.05 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.87 -0.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 55.8 tp -72.4 -20.18 61.48 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.068 1.347 . . . . 0.0 111.894 166.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.74 -50.62 3.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.164 1.785 . . . . 0.0 114.481 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -35.24 -53.08 0.62 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 128.378 2.671 . . . . 0.0 115.067 167.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.45 72.38 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 124.87 1.268 . . . . 0.0 111.259 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 16.4 tp -72.85 -47.43 46.22 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.159 -0.963 . . . . 0.0 111.011 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.58 -38.33 83.89 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.201 1.0 . . . . 0.0 113.555 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.95 -5.93 59.27 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 122.497 1.142 . . . . 0.0 112.377 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -86.41 -42.39 13.67 Favored 'General case' 0 N--CA 1.435 -1.205 0 O-C-N 120.177 -1.577 . . . . 0.0 109.337 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.33 -39.06 27.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.877 -1.139 . . . . 0.0 112.933 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.261 1.698 0 CA-C-O 117.628 -1.177 . . . . 0.0 109.94 -175.164 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.909 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.35 169.86 15.18 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.719 0.69 . . . . 0.0 110.383 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HZ3' ' HB3' ' A' ' 96' ' ' LYS . 7.9 mtpm? -143.68 173.27 11.82 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 169.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.7 ptm -158.26 -52.37 0.07 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -77.09 135.28 38.59 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.723 1.209 . . . . 0.0 109.837 172.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -131.57 -35.03 1.32 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.143 0.977 . . . . 0.0 112.094 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' HZ2' ' CD ' ' A' ' 104' ' ' GLU . 11.5 tmtt? -158.23 63.35 0.45 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 104.069 -2.567 . . . . 0.0 104.069 -173.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.42 -50.2 1.08 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.827 0.823 . . . . 0.0 110.91 -155.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 p -64.12 -42.47 96.84 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 125.425 1.49 . . . . 0.0 112.172 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.18 -36.84 78.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.634 -1.291 . . . . 0.0 112.104 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' CD ' ' HZ2' ' A' ' 100' ' ' LYS . 3.4 mm-40 -69.41 -38.85 78.1 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.335 1.054 . . . . 0.0 110.648 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' CD ' HH21 ' B' ' 653' ' ' ARG . 5.8 tt0 -56.77 -47.55 79.89 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.87 0.868 . . . . 0.0 111.795 167.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -63.49 -43.86 98.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 O-C-N 121.233 -0.917 . . . . 0.0 111.907 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.82 -40.72 96.26 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.079 -1.638 . . . . 0.0 112.57 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.38 -43.02 95.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.612 -1.305 . . . . 0.0 112.278 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.34 89.42 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.686 1.194 . . . . 0.0 112.502 172.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.77 -44.99 86.55 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.5 1.12 . . . . 0.0 112.12 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.409 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU . 3.2 mmpt? -68.57 -35.42 77.36 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 172.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.13 -27.78 68.97 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.648 -1.282 . . . . 0.0 112.745 172.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -73.16 -69.6 0.41 Allowed 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.097 -1.002 . . . . 0.0 112.092 157.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.79 68.98 3.09 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.311 -1.493 . . . . 0.0 111.796 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' CG ' HH21 ' A' ' 128' ' ' ARG . 2.9 p30 -88.92 -7.28 56.37 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.728 -1.232 . . . . 0.0 111.184 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -82.81 -8.86 59.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.675 1.99 . . . . 0.0 109.941 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 81.1 mm-40 58.25 50.21 10.06 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.602 1.961 . . . . 0.0 113.186 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.7 t -102.98 -6.44 22.39 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.352 -0.842 . . . . 0.0 110.015 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.43 13.57 75.96 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 118.828 0.74 . . . . 0.0 111.752 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.532 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 47.3 mttm -148.67 154.52 39.78 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.22 105.91 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 169.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -84.68 156.18 21.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.973 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 122.6 1.19 . . . . 0.0 109.123 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -51.9 -55.56 19.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.719 2.408 . . . . 0.0 110.493 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.26 -26.54 42.38 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 121.455 -0.778 . . . . 0.0 112.926 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -49.49 68.11 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.824 -1.798 . . . . 0.0 111.504 167.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.425 ' HZ3' ' CG ' ' A' ' 139' ' ' ASP . 53.6 tttt -64.03 -39.52 94.28 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.703 1.201 . . . . 0.0 113.718 174.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.401 HH21 ' CG ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.623 1.169 . . . . 0.0 112.507 172.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.6 -46.38 79.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 126.203 1.801 . . . . 0.0 111.266 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.91 44.08 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -74.04 -31.02 62.71 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.075 -1.016 . . . . 0.0 113.134 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -32.96 67.12 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.153 -0.967 . . . . 0.0 112.667 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.89 -38.44 76.33 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 120.537 -1.352 . . . . 0.0 109.879 164.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.09 38.28 3.62 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.38 173.7 7.77 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 123.397 1.57 . . . . 0.0 111.814 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -92.03 -75.16 0.49 Allowed 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.793 2.037 . . . . 0.0 107.509 -174.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.21 -138.6 0.99 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.76 1.624 . . . . 0.0 112.342 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.42 -158.7 0.12 Allowed 'General case' 0 CA--C 1.511 -0.556 1 N-CA-C 99.512 -4.255 . . . . 0.0 99.512 175.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' A' ' 127' ' ' LYS . 2.0 m-20 -94.02 -38.57 11.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.884 2.129 . . . . 0.0 107.861 170.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -48.35 -50.26 31.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 129.635 3.174 . . . . 0.0 112.671 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.59 -43.23 71.97 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 113.997 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.5 -43.09 81.72 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.71 -1.244 . . . . 0.0 109.988 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -40.02 95.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.709 1.603 . . . . 0.0 112.006 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -54.11 -49.73 68.46 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.362 1.865 . . . . 0.0 112.18 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.46 -43.53 79.65 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.603 -1.31 . . . . 0.0 113.588 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.83 -52.09 64.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 120.717 -1.24 . . . . 0.0 112.261 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -35.4 80.31 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.815 1.246 . . . . 0.0 112.74 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.63 -58.41 8.46 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.854 -1.154 . . . . 0.0 111.529 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.06 35.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -166.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -74.9 72.18 2.07 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 123.982 1.849 . . . . 0.0 112.612 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -88.76 -6.47 57.39 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.132 1.373 . . . . 0.0 110.797 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.69 -43.45 97.71 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.895 1.278 . . . . 0.0 110.636 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.33 39.46 4.23 Favored Glycine 0 C--N 1.359 1.821 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.532 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 4.8 t70 -107.55 -73.96 0.67 Allowed 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.761 1.625 . . . . 0.0 109.62 -168.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 147.34 -44.84 0.79 Allowed Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -126.12 139.93 52.98 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 122.946 1.355 . . . . 0.0 111.675 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.3 t -81.15 130.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-O 122.582 1.182 . . . . 0.0 112.808 -147.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 84.1 p -76.18 162.3 28.09 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 123.63 1.681 . . . . 0.0 115.066 -170.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.55 -50.65 72.69 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 128.236 2.614 . . . . 0.0 109.67 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -57.03 -47.3 81.22 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.774 1.23 . . . . 0.0 112.915 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.0 -28.93 55.25 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.007 1.276 . . . . 0.0 112.824 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.34 -48.62 79.0 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.23 -0.919 . . . . 0.0 111.65 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.99 -39.37 89.4 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.089 -1.007 . . . . 0.0 111.058 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -57.73 -54.67 44.31 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.067 0.947 . . . . 0.0 113.527 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.89 -36.26 74.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 120.346 1.43 . . . . 0.0 113.204 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 1.4 mmt -73.02 -33.7 65.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.118 -0.989 . . . . 0.0 111.581 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -72.61 -40.5 66.44 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.943 -1.098 . . . . 0.0 112.807 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -58.46 -67.25 0.37 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.124 1.369 . . . . 0.0 112.227 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . 0.291 54.5 m 18.64 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.809 3.244 . . . . 0.0 116.155 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 10.3 t 62.84 10.07 4.06 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 36.5 tp -110.06 -67.08 1.01 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.133 0.973 . . . . 0.0 108.468 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.264 1.821 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 N--CA 1.525 3.299 0 CA-C-O 112.343 -3.694 . . . . 0.0 103.543 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -169.23 172.57 7.24 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 122.059 2.209 . . . . 0.0 105.956 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -155.16 165.48 36.54 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 100.65 -3.833 . . . . 0.0 100.65 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -175.88 96.38 0.06 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.676 0.79 . . . . 0.0 111.104 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 18.1 m170 68.22 -148.53 0.14 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.721 1.208 . . . . 0.0 113.833 169.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . 0.265 1.1 p80 24.9 57.12 0.04 OUTLIER 'General case' 0 C--N 1.362 1.143 0 C-N-CA 128.938 2.895 . . . . 0.0 116.414 -166.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.2 100.48 10.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -165.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -124.61 90.73 3.3 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.397 -0.814 . . . . 0.0 110.812 -159.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 48.2 m -80.02 62.43 4.22 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.45 -1.406 . . . . 0.0 112.786 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.78 161.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 13.2 tp -95.37 -28.37 14.99 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.063 -1.023 . . . . 0.0 112.764 -171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -67.03 -26.76 66.93 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.161 -1.587 . . . . 0.0 112.23 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.403 HH21 ' CD ' ' A' ' 105' ' ' GLU . 8.9 tpt180 -41.17 -56.13 2.45 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.75 2.42 . . . . 0.0 112.801 161.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.93 -46.19 25.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 121.339 -0.85 . . . . 0.0 111.455 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.73 -48.65 79.74 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.86 -34.11 62.21 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.869 -1.144 . . . . 0.0 111.674 -173.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.99 -22.81 63.1 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 121.326 0.584 . . . . 0.0 112.278 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -78.96 -52.67 7.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 123.937 0.895 . . . . 0.0 110.796 173.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.88 -34.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.261 1.702 0 O-C-N 120.993 -1.067 . . . . 0.0 112.995 -157.239 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.52 3.064 0 CA-C-O 121.191 0.52 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.17 142.46 55.7 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -133.71 135.29 43.92 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.559 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttt -153.62 160.12 42.32 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 100.503 -3.888 . . . . 0.0 100.503 167.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -155.35 52.98 0.61 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.601 1.092 . . . . 0.0 110.079 -171.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -103.51 -72.22 0.7 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -4.59 13.32 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 120.353 -1.467 . . . . 0.0 109.349 175.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -29.11 70.48 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 129.546 3.138 . . . . 0.0 113.444 -172.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.7 p -45.69 -48.93 14.99 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 126.452 1.901 . . . . 0.0 116.017 -170.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.21 -46.28 77.78 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.014 -1.054 . . . . 0.0 112.813 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -73.19 -34.88 66.23 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.331 -0.856 . . . . 0.0 111.049 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -54.13 -42.29 69.33 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.981 2.112 . . . . 0.0 113.563 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.96 -44.56 97.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 120.319 -1.488 . . . . 0.0 111.494 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -38.6 78.54 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.73 -1.231 . . . . 0.0 111.992 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -57.87 -49.62 76.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 126.407 1.883 . . . . 0.0 111.655 169.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.13 80.51 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.525 1.13 . . . . 0.0 112.336 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -51.56 -49.82 61.28 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.072 1.349 . . . . 0.0 113.149 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.422 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 8.8 tttt -69.39 -23.36 63.71 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.731 1.212 . . . . 0.0 113.962 176.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.28 -19.94 45.56 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.166 -1.584 . . . . 0.0 113.235 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.04 -58.84 3.03 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.36 -1.462 . . . . 0.0 108.55 162.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 118' ' ' THR . 54.2 t0 -91.57 92.14 8.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.13 -0.981 . . . . 0.0 111.811 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.81 -27.9 55.37 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.918 0.487 . . . . 0.0 112.057 166.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.21 -52.21 13.1 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.23 1.012 . . . . 0.0 111.204 -162.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -103.51 -47.36 4.29 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 123.105 1.431 . . . . 0.0 107.677 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.436 ' H ' ' CG ' ' A' ' 114' ' ' ASP 0.311 18.8 p 80.48 38.69 0.09 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 127.731 2.412 . . . . 0.0 109.475 -174.276 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.3 -19.41 0.04 OUTLIER Glycine 0 C--N 1.349 1.254 0 C-N-CA 125.156 1.36 . . . . 0.0 114.123 -168.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 45.0 mttt -144.19 131.46 20.77 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.832 1.816 . . . . 0.0 111.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 94.3 mt -89.36 97.06 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 106.559 165.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m -100.95 -171.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -55.3 -55.79 27.45 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.245 1.418 . . . . 0.0 112.558 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -52.91 -45.98 67.83 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.34 2.256 . . . . 0.0 112.635 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -47.11 61.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 127.95 2.5 . . . . 0.0 109.429 -176.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.47 -45.0 92.88 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.279 -1.513 . . . . 0.0 112.243 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 9.6 3.68 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 73.6 mtt-85 -77.28 -59.0 2.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.32 -1.488 . . . . 0.0 108.577 160.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -34.72 68.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 121.745 0.783 . . . . 0.0 111.538 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.19 63.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 114.147 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.55 -47.17 15.97 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.96 169.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.9 -39.73 86.36 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-N 120.619 1.554 . . . . 0.0 113.095 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.54 -14.51 59.65 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.997 -1.064 . . . . 0.0 112.616 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.39 -2.68 86.59 Favored Glycine 0 C--N 1.35 1.319 0 O-C-N 121.048 -1.033 . . . . 0.0 113.533 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.79 -37.34 70.45 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 111.813 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 70.06 -67.95 0.22 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.903 1.681 . . . . 0.0 113.082 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp 66.9 157.74 0.12 Allowed 'General case' 0 C--N 1.352 0.701 0 C-N-CA 127.995 2.518 . . . . 0.0 114.211 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 75.9 p -84.0 163.7 19.78 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.62 -1.3 . . . . 0.0 111.251 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.3 -39.63 93.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.507 1.923 . . . . 0.0 111.792 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.12 -52.35 64.64 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.2 1.0 . . . . 0.0 112.383 168.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.02 -47.1 87.24 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.224 -0.922 . . . . 0.0 113.086 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.0 -44.96 79.16 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 121.174 -0.954 . . . . 0.0 112.103 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -65.81 -48.88 70.22 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.534 -0.729 . . . . 0.0 112.482 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -54.86 -42.62 72.25 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.445 1.498 . . . . 0.0 113.666 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.6 mtp -61.15 -32.9 72.61 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.44 -49.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.234 -1.541 . . . . 0.0 110.191 172.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.84 -35.42 70.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.714 1.606 . . . . 0.0 112.644 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.33 -52.2 65.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.949 1.7 . . . . 0.0 113.5 172.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.84 -32.23 40.58 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -160.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -76.51 118.53 19.27 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.276 1.036 . . . . 0.0 109.393 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.41 6.75 13.69 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.412 1.085 . . . . 0.0 108.293 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.497 ' CG ' HH11 ' A' ' 164' ' ' ARG . 3.7 m-20 -125.61 -42.94 1.91 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -148.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 111.97 59.23 0.45 Allowed Glycine 0 C--N 1.352 1.456 0 C-N-CA 123.988 0.804 . . . . 0.0 112.266 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.436 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 28.2 t70 -112.34 -49.64 2.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.476 1.11 . . . . 0.0 108.04 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 116.29 -32.87 5.4 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.949 1.262 . . . . 0.0 110.035 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -125.48 179.5 5.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.39 110.37 31.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.178 -1.577 . . . . 0.0 110.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.4 p -88.59 -178.64 5.87 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.171 -1.581 . . . . 0.0 111.452 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.11 -36.74 80.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.385 -1.447 . . . . 0.0 112.713 -172.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.637 0.775 . . . . 0.0 111.723 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.51 -47.63 83.1 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.38 1.472 . . . . 0.0 110.245 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.23 -49.53 77.26 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.678 1.191 . . . . 0.0 112.336 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.1 mt -57.15 -47.16 81.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.791 -1.193 . . . . 0.0 112.687 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 152' ' ' ASP . 43.4 ttm180 -55.15 -55.41 31.44 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.347 1.859 . . . . 0.0 112.716 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.4 pt -67.45 -36.83 77.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.026 -1.046 . . . . 0.0 113.212 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 72.0 mtp -69.34 -43.56 73.41 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.633 -1.292 . . . . 0.0 111.868 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.08 -35.52 80.0 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.01 -1.056 . . . . 0.0 112.457 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . 0.422 ' HZ2' ' C ' ' A' ' 172' ' ' TYR . 1.2 ttpp -53.52 -40.41 65.42 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.264 1.026 . . . . 0.0 112.509 170.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 26.9 m -80.17 64.69 5.07 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 119.958 -1.714 . . . . 0.0 111.254 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 75.7 m -115.72 52.67 0.88 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.944 2.098 . . . . 0.0 106.917 173.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 16.2 tp 74.37 51.11 0.1 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 110.87 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.422 ' C ' ' HZ2' ' A' ' 168' ' ' LYS . 16.3 t80 . . . . . 0 C--O 1.266 1.973 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 N--CA 1.513 2.704 0 CA-C-O 119.768 -0.158 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -69.92 -72.82 0.18 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 129.95 3.3 . . . . 0.0 110.351 3.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.82 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.873 1.269 . . . . 0.0 110.076 165.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -138.94 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.958 1.303 . . . . 0.0 111.666 -167.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -160.61 65.46 0.32 Allowed 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.807 -1.183 . . . . 0.0 107.897 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -117.6 80.53 1.52 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.236 1.014 . . . . 0.0 112.066 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -131.77 -87.72 0.46 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 129.583 3.153 . . . . 0.0 111.03 -3.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.06 -157.45 0.45 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.062 -1.024 . . . . 0.0 113.02 -164.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 16.7 m -74.56 56.35 0.68 Allowed 'General case' 0 C--N 1.353 0.733 0 O-C-N 119.781 -1.824 . . . . 0.0 114.806 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 36.0 m -76.61 32.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.347 0.498 0 C-N-CA 127.945 2.498 . . . . 0.0 113.745 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.15 -26.65 15.39 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 128.234 2.614 . . . . 0.0 107.619 174.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -36.29 -60.37 0.57 Allowed 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.927 2.891 . . . . 0.0 115.119 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -37.42 -43.91 0.6 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 128.827 2.851 . . . . 0.0 115.562 170.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.17 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.404 -1.435 . . . . 0.0 112.204 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.83 -53.02 6.85 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.232 1.015 . . . . 0.0 110.195 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.85 -37.49 79.14 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.858 1.263 . . . . 0.0 113.35 -170.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -97.43 14.59 25.82 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.794 1.179 . . . . 0.0 111.768 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -85.9 -55.01 4.16 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 155.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.8 -33.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.263 1.807 0 O-C-N 121.091 -1.006 . . . . 0.0 110.416 -178.122 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.917 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 70.35 -68.34 0.21 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.486 1.514 . . . . 0.0 109.721 -164.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -100.72 152.23 20.72 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 172.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -165.94 -56.67 0.03 OUTLIER 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -105.49 -160.53 0.76 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 150.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -106.9 0.38 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.938 1.244 . . . . 0.0 111.595 -176.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -47.94 6.36 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 5.33 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.362 1.136 0 C-N-CA 130.11 3.364 . . . . 0.0 118.476 172.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -41.96 -28.48 0.17 Allowed 'General case' 0 N--CA 1.447 -0.6 1 C-N-CA 132.637 4.375 . . . . 0.0 114.667 173.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -55.14 -42.45 73.05 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 119.832 -1.792 . . . . 0.0 112.389 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.81 -41.22 71.87 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.635 -0.665 . . . . 0.0 110.955 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -56.1 -48.39 76.23 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.849 0.86 . . . . 0.0 112.26 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -66.13 -39.42 84.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.111 1.364 . . . . 0.0 111.23 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -45.47 92.67 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.691 -1.255 . . . . 0.0 112.922 170.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -49.5 77.44 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.694 -1.254 . . . . 0.0 111.64 171.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.7 76.07 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.597 1.559 . . . . 0.0 112.976 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.79 -48.63 72.48 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.888 1.675 . . . . 0.0 112.278 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.83 -34.13 69.05 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.541 -1.349 . . . . 0.0 113.145 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.59 -34.35 78.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.537 -1.352 . . . . 0.0 112.763 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.83 -56.45 21.68 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.882 -1.136 . . . . 0.0 111.654 159.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -72.1 70.38 0.79 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.325 1.535 . . . . 0.0 114.905 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.26 -34.69 63.68 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.766 2.826 . . . . 0.0 109.744 170.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.68 -38.73 91.51 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 120.987 -1.071 . . . . 0.0 110.072 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.289 8.7 mt-10 74.74 57.17 0.07 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.372 1.869 . . . . 0.0 108.037 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -103.19 -19.21 14.59 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.664 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.17 -3.56 55.07 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 124.667 1.127 . . . . 0.0 111.64 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -143.5 156.68 44.69 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.528 1.131 . . . . 0.0 109.077 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.7 mt -83.14 85.82 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-O 124.502 2.096 . . . . 0.0 107.341 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.523 ' HG ' ' CD ' ' A' ' 156' ' ' GLU . 44.0 t -70.59 159.09 34.99 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 114.44 -1.255 . . . . 0.0 112.613 173.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.35 -36.09 41.37 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 125.0 1.32 . . . . 0.0 112.564 160.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -56.23 -48.88 75.61 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.961 1.704 . . . . 0.0 111.182 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -72.72 -40.56 66.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.009 1.723 . . . . 0.0 110.782 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -54.17 44.8 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 125.637 1.575 . . . . 0.0 112.377 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -24.59 59.59 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.376 0.671 . . . . 0.0 110.071 162.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.59 -43.94 55.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 124.649 1.179 . . . . 0.0 113.785 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.23 64.05 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.45 -31.37 42.47 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.166 -0.959 . . . . 0.0 113.372 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.92 -36.07 80.25 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.209 1.004 . . . . 0.0 112.881 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.9 -46.55 35.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.959 -1.088 . . . . 0.0 110.6 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.06 9.91 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.46 141.64 28.54 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 122.502 1.144 . . . . 0.0 110.641 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.708 -1.245 . . . . 0.0 114.096 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -91.22 144.47 25.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 122.38 1.086 . . . . 0.0 110.207 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.86 150.32 21.11 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.211 1.404 . . . . 0.0 110.017 -166.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -35.96 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.247 1.819 . . . . 0.0 115.419 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.06 -42.63 94.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.69 1.596 . . . . 0.0 112.94 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.5 -39.69 85.18 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.488 1.515 . . . . 0.0 110.338 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.63 -40.35 95.31 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.441 -1.412 . . . . 0.0 111.724 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -40.58 98.11 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.03 -1.043 . . . . 0.0 111.541 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.62 -49.33 65.31 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.085 1.354 . . . . 0.0 112.603 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.6 mtp -57.41 -39.78 76.89 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.072 -1.018 . . . . 0.0 113.368 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.87 -47.82 77.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.531 -1.356 . . . . 0.0 111.498 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.181 1.393 . . . . 0.0 111.826 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.35 -57.84 10.87 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 125.19 1.396 . . . . 0.0 112.506 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.06 -38.9 26.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -85.28 80.16 9.27 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 119.905 -1.747 . . . . 0.0 107.314 168.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -61.56 -26.87 68.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.654 2.382 . . . . 0.0 113.935 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -92.01 -40.51 11.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 92.4 67.11 1.11 Allowed Glycine 0 C--N 1.357 1.698 0 O-C-N 121.739 -0.601 . . . . 0.0 113.446 164.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -154.93 -69.44 0.13 Allowed 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.969 -0.724 . . . . 0.0 111.536 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.89 10.28 74.39 Favored Glycine 0 CA--C 1.497 -1.073 0 C-N-CA 124.813 1.197 . . . . 0.0 114.287 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.523 ' CD ' ' HG ' ' A' ' 122' ' ' SER 0.544 8.2 pt-20 65.34 -175.06 0.18 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.447 1.899 . . . . 0.0 113.289 176.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.09 106.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 124.419 2.057 . . . . 0.0 112.019 -149.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.4 m -94.51 160.54 14.6 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.138 -1.846 . . . . 0.0 112.024 -161.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 159' ' ' GLU . 1.1 mp0 -37.86 -65.2 0.34 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 131.047 3.739 . . . . 0.0 113.844 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.75 -16.17 61.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.785 1.234 . . . . 0.0 113.591 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -84.84 -42.79 14.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 121.173 -0.954 . . . . 0.0 110.265 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.36 -39.15 75.38 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.571 1.149 . . . . 0.0 111.267 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.42 -25.35 68.24 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.28 -58.71 5.75 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.757 1.617 . . . . 0.0 110.894 168.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.16 -28.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.832 -0.542 . . . . 0.0 111.826 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 26.2 mmt -85.6 -52.15 6.0 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -121.64 18.37 11.19 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 120.226 -1.546 . . . . 0.0 113.564 -168.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -113.35 -56.32 2.42 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 120.398 -1.439 . . . . 0.0 108.729 161.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 3.3 m -78.37 71.61 4.85 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 122.49 1.138 . . . . 0.0 112.131 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 34.3 t -62.88 -1.07 0.78 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.222 2.209 . . . . 0.0 116.122 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -126.95 1.43 6.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.996 0.918 . . . . 0.0 111.291 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . 0.509 44.6 p90 . . . . . 0 C--O 1.265 1.896 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -163.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . 177.95 34.26 0.0 OUTLIER 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.197 1.399 . . . . 0.0 107.978 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.92 60.16 2.27 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 128.864 2.865 . . . . 0.0 111.985 -162.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 72.9 mt 73.18 -71.07 0.14 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.449 2.3 . . . . 0.0 111.185 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 16.7 m80 61.81 -104.92 0.17 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.147 1.779 . . . . 0.0 112.117 -175.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -148.13 169.55 19.76 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.66 113.01 24.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 121.547 0.689 . . . . 0.0 111.24 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.65 54.49 2.49 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.765 -1.209 . . . . 0.0 111.963 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 17.1 m -81.3 179.83 7.68 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.882 -1.136 . . . . 0.0 110.524 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . 0.405 14.6 m 55.26 21.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 126.791 2.037 . . . . 0.0 116.491 -175.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.46 15.66 15.36 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.978 1.711 . . . . 0.0 109.63 170.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -62.3 -31.59 72.21 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.338 1.855 . . . . 0.0 110.939 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -40.14 -54.6 2.27 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 127.33 2.252 . . . . 0.0 113.524 163.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -83.5 -44.14 15.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 121.722 -0.611 . . . . 0.0 111.264 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.1 -47.7 70.4 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.793 -1.192 . . . . 0.0 113.482 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -72.98 -39.44 66.09 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.147 -0.971 . . . . 0.0 110.23 -172.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -76.03 -7.33 54.43 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -90.2 -48.94 6.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 123.757 0.823 . . . . 0.0 109.095 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.63 -32.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.162 -1.586 . . . . 0.0 114.81 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.995 -1.478 . . . . 0.0 111.773 -178.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.53 3.528 0 CA-C-O 112.526 -3.607 . . . . 0.0 103.461 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.43 141.51 54.04 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 125.952 2.032 . . . . 0.0 111.972 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.28 137.89 7.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 102.599 -3.112 . . . . 0.0 102.599 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.0 tpt -92.3 151.9 20.07 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.96 1.255 . . . . 0.0 108.202 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.5 m -68.84 -42.81 76.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.388 -1.445 . . . . 0.0 111.463 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.15 -174.73 2.93 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.891 1.276 . . . . 0.0 111.475 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.47 15.5 mmmt 110.34 -160.81 0.0 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 130.777 3.631 . . . . 0.0 110.902 154.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -149.69 -157.15 0.79 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -159.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.2 t -49.71 -34.99 20.38 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.523 2.729 . . . . 0.0 113.632 -174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.74 -34.79 76.45 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.781 -1.824 . . . . 0.0 113.462 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.95 -31.82 63.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.296 -1.503 . . . . 0.0 111.375 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.37 -47.66 81.15 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.201 -0.937 . . . . 0.0 111.228 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.11 -44.95 92.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.594 1.558 . . . . 0.0 111.475 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.87 -40.24 96.91 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.317 -1.489 . . . . 0.0 113.584 172.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.31 -47.04 87.71 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.568 -1.332 . . . . 0.0 110.614 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.08 79.19 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -54.09 -46.29 72.02 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -70.48 -18.77 62.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.13 1.529 . . . . 0.0 115.13 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 -29.8 42.53 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.559 -1.963 . . . . 0.0 110.67 171.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.63 -69.1 0.53 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 123.525 0.73 . . . . 0.0 110.131 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.26 94.46 5.08 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.745 -1.222 . . . . 0.0 109.173 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -23.55 -71.73 0.02 OUTLIER 'General case' 0 C--N 1.364 1.218 0 C-N-CA 128.554 2.742 . . . . 0.0 113.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.89 46.79 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 154.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.455 ' CD ' ' HZ1' ' A' ' 124' ' ' LYS . 10.8 pt-20 -92.84 -38.54 11.69 Favored 'General case' 0 C--N 1.36 1.046 0 O-C-N 121.511 -0.743 . . . . 0.0 112.276 -166.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -33.97 4.64 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 171.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.55 14.24 66.11 Favored Glycine 0 C--N 1.356 1.69 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -140.32 132.66 28.34 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 80.4 mt -73.94 108.09 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 O-C-N 119.674 -1.891 . . . . 0.0 110.42 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t -86.99 168.9 12.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.656 1.582 . . . . 0.0 111.774 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -57.5 -49.04 77.62 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.696 1.598 . . . . 0.0 110.826 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.455 ' HZ1' ' CD ' ' A' ' 117' ' ' GLU . 28.3 ttpp -56.19 -41.8 76.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.736 1.614 . . . . 0.0 112.616 176.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -88.41 -26.7 22.01 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.675 0.79 . . . . 0.0 111.846 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.89 -36.93 84.96 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.649 -1.907 . . . . 0.0 111.645 160.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -69.6 -18.03 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 119.198 -2.189 . . . . 0.0 114.275 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -64.37 -48.82 74.02 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.222 -1.549 . . . . 0.0 112.263 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.1 p -60.82 -37.76 77.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.887 1.221 . . . . 0.0 111.838 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.92 -42.81 65.75 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 168.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -82.19 -24.52 34.9 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.04 -1.663 . . . . 0.0 113.877 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -57.02 -45.91 82.73 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 127.012 2.125 . . . . 0.0 110.775 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.31 -41.98 55.64 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.71 1.204 . . . . 0.0 111.637 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.64 37.63 2.75 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 121.244 -0.91 . . . . 0.0 111.02 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -93.16 -158.46 0.61 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.546 1.165 . . . . 0.0 110.685 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -125.7 -81.4 0.62 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.175 -1.578 . . . . 0.0 107.621 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.5 mp 72.01 146.24 0.07 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.809 2.044 . . . . 0.0 113.759 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.2 p -92.18 172.69 8.26 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.784 -1.197 . . . . 0.0 108.256 167.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -68.99 -33.52 73.81 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.133 1.773 . . . . 0.0 110.77 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.42 -59.03 2.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 129.185 2.994 . . . . 0.0 112.375 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -54.72 -54.54 40.51 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.308 1.843 . . . . 0.0 112.412 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.18 -46.12 91.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 121.011 -1.055 . . . . 0.0 111.677 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.45 -53.12 59.5 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.356 -0.84 . . . . 0.0 112.345 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.78 -36.13 82.89 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.742 -1.224 . . . . 0.0 112.701 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.4 mtm -57.79 -46.13 85.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 169.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.3 -54.66 30.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 O-C-N 121.405 -0.809 . . . . 0.0 111.693 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -58.17 -33.0 68.75 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.946 1.298 . . . . 0.0 113.46 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.1 -22.7 41.89 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.599 -1.313 . . . . 0.0 112.539 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.2 -70.72 0.35 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.1 105.93 16.19 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.341 1.428 . . . . 0.0 112.191 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -70.73 -47.73 58.19 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -155.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.56 46.45 2.64 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -98.33 -108.77 2.79 Favored Glycine 0 C--N 1.358 1.801 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -163.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -142.17 -47.32 0.35 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 122.293 -0.533 . . . . 0.0 109.837 -155.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.79 -37.35 2.61 Favored Glycine 0 CA--C 1.493 -1.314 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 -166.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.76 146.82 34.31 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 123.187 1.47 . . . . 0.0 108.846 167.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.4 t -92.58 108.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 120.727 -1.233 . . . . 0.0 111.444 -161.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 p -70.99 176.17 4.57 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.25 -1.531 . . . . 0.0 113.374 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -53.61 -44.31 69.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.963 1.705 . . . . 0.0 112.206 175.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.428 ' H ' ' CD ' ' A' ' 159' ' ' GLU . 77.1 mm-40 -57.35 -49.8 75.01 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 125.208 1.403 . . . . 0.0 112.773 174.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.46 -29.64 52.89 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.103 0.561 . . . . 0.0 111.233 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -58.14 -50.09 74.71 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.551 1.141 . . . . 0.0 111.173 163.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.73 -39.54 89.02 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.874 -1.141 . . . . 0.0 113.259 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -60.49 -50.51 73.26 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.349 -1.469 . . . . 0.0 112.001 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.429 -0.794 . . . . 0.0 112.347 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 23.7 mmt -73.46 -30.84 63.44 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.373 -1.454 . . . . 0.0 112.597 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -74.06 -20.89 60.14 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.541 -1.349 . . . . 0.0 113.287 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -55.17 -59.83 4.23 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 120.843 -1.161 . . . . 0.0 111.806 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 4.1 m -81.34 60.24 4.33 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 123.468 1.604 . . . . 0.0 110.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 34.4 t -101.76 25.09 8.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.858 1.663 . . . . 0.0 108.377 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 83.92 99.18 0.04 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.553 2.741 . . . . 0.0 107.105 -163.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 C--O 1.259 1.587 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -175.599 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 . . . . . 0 N--CA 1.524 3.226 0 CA-C-O 112.702 -3.523 . . . . 0.0 103.603 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -150.29 -54.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.06 2.1 . . . . 0.0 106.288 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.66 138.56 58.32 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 129.899 3.28 . . . . 0.0 113.583 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 3.8 pp -162.11 158.57 24.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -160.33 148.5 16.62 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -158.49 166.04 33.14 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 102.04 -3.318 . . . . 0.0 102.04 172.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -117.78 -29.69 5.63 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.002 0.819 . . . . 0.0 109.443 164.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . 0.273 41.0 t-80 82.21 81.87 0.03 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 128.806 2.842 . . . . 0.0 109.832 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . 0.271 6.9 p 76.91 175.7 0.19 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.61 0.764 . . . . 0.0 111.601 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 26.5 m -82.69 34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 2 C-N-CA 133.83 4.852 . . . . 0.0 111.746 -3.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.59 -9.13 24.1 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 127.575 2.35 . . . . 0.0 114.741 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.1 -26.89 68.41 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 125.057 1.343 . . . . 0.0 110.604 169.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -56.8 -41.05 77.04 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.922 -1.111 . . . . 0.0 112.349 167.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.17 -54.5 8.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.096 -1.002 . . . . 0.0 110.632 173.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.56 -43.68 98.42 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.11 -38.16 72.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.621 -1.299 . . . . 0.0 111.18 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.28 -18.57 63.12 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.093 0.861 . . . . 0.0 113.11 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -71.11 -51.99 21.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.229 1.011 . . . . 0.0 109.527 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.6 p -83.46 -36.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.715 -173.762 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.517 2.906 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.96 57.43 3.48 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.623 -1.298 . . . . 0.0 112.115 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -167.7 94.43 0.42 Allowed 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 54.8 ttm 70.49 118.1 0.04 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.917 1.687 . . . . 0.0 114.224 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -171.91 164.57 6.36 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 174.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.99 155.09 19.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.534 ' HZ3' ' C ' ' A' ' 172' ' ' TYR . 20.8 ttmt -161.33 18.46 0.11 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.065 1.412 . . . . 0.0 111.472 167.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -20.43 62.87 Favored 'General case' 0 N--CA 1.436 -1.127 1 C-N-CA 131.922 4.089 . . . . 0.0 112.12 -171.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.4 p -55.27 -25.51 34.37 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.395 1.478 . . . . 0.0 113.144 167.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -69.65 -28.03 65.55 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.466 -2.021 . . . . 0.0 114.137 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.09 -30.66 60.97 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.346 -1.471 . . . . 0.0 110.774 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -59.67 -43.5 93.96 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 123.967 0.907 . . . . 0.0 111.577 170.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.55 -47.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 112.213 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.49 -1.381 . . . . 0.0 112.632 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -53.75 51.1 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.342 1.457 . . . . 0.0 111.54 170.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.26 73.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.43 1.892 . . . . 0.0 113.798 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.34 -43.86 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.693 1.197 . . . . 0.0 112.143 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -18.81 54.98 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 176.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -75.2 -39.12 60.42 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.779 -1.826 . . . . 0.0 110.053 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -61.97 -65.86 0.63 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.412 1.085 . . . . 0.0 112.476 167.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -85.31 80.25 9.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.581 1.181 . . . . 0.0 109.444 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -96.36 18.42 13.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.188 1.47 . . . . 0.0 109.685 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.01 3.66 30.83 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.044 1.338 . . . . 0.0 108.371 172.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 55.73 44.51 26.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.565 1.946 . . . . 0.0 115.066 169.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.1 t -111.84 -25.54 9.4 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 110.676 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 110.76 -2.06 28.92 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 121.577 -0.702 . . . . 0.0 113.186 168.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -139.06 149.8 45.01 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 103.0 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.808 -1.183 . . . . 0.0 108.758 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -68.92 161.15 29.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.652 0.739 . . . . 0.0 111.513 170.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -53.04 -46.15 68.34 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.899 1.28 . . . . 0.0 111.992 171.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -54.83 -41.77 71.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.053 1.341 . . . . 0.0 113.309 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.91 -34.61 33.33 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.893 1.277 . . . . 0.0 108.348 -170.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.94 -53.81 54.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.541 1.136 . . . . 0.0 111.684 166.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.299 32.9 pttt -72.58 -20.85 61.23 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -54.33 -51.98 63.0 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 110.99 163.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.51 -46.94 79.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.152 -0.968 . . . . 0.0 112.331 172.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.45 69.46 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -22.38 56.9 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.318 -1.489 . . . . 0.0 113.214 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -39.7 67.03 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.693 1.197 . . . . 0.0 112.226 175.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.63 -46.03 64.07 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.932 -1.105 . . . . 0.0 110.857 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.63 68.51 0.66 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -72.85 174.78 7.24 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.98 60.92 0.85 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 159.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.426 2.6 pt? -112.13 -53.65 2.69 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.053 171.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.313 1.2 m 106.96 160.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.971 2.908 . . . . 0.0 110.888 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.75 -39.68 25.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 129.346 3.058 . . . . 0.0 116.793 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.89 -46.32 53.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.577 1.179 . . . . 0.0 110.916 -168.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.2 pm0 -71.75 -29.32 64.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.429 -1.419 . . . . 0.0 111.73 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.39 -37.13 86.43 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.357 -2.089 . . . . 0.0 113.25 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -64.31 -38.59 91.59 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.422 -1.424 . . . . 0.0 110.88 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -54.43 -43.64 71.76 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.384 -0.822 . . . . 0.0 112.887 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mtp -57.11 -41.83 79.73 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.82 -1.175 . . . . 0.0 113.455 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.79 -50.14 80.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.481 -1.387 . . . . 0.0 111.96 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -39.49 92.87 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 112.504 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.01 -55.11 38.08 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.735 1.614 . . . . 0.0 112.091 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.44 50.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -82.89 67.04 8.8 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.303 -1.498 . . . . 0.0 109.728 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.8 mtp-105 -53.83 -49.46 68.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.355 2.262 . . . . 0.0 114.065 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -94.09 -19.97 20.34 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.085 0.554 . . . . 0.0 110.628 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.07 63.55 0.99 Allowed Glycine 0 C--N 1.358 1.773 0 O-C-N 121.242 -0.911 . . . . 0.0 111.605 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.13 -38.26 36.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.392 1.877 . . . . 0.0 108.27 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 134.85 -37.29 1.96 Allowed Glycine 0 C--N 1.356 1.678 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -148.42 173.12 13.42 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.68 110.71 18.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-O 123.268 1.509 . . . . 0.0 109.209 -172.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.1 p -100.98 177.31 4.99 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -151.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.87 -51.5 63.45 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 127.818 2.447 . . . . 0.0 110.734 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.37 -49.99 67.23 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.142 0.977 . . . . 0.0 112.285 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.89 -32.06 61.74 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 120.295 -1.503 . . . . 0.0 112.753 -169.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.97 -44.22 96.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.603 -0.685 . . . . 0.0 110.943 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.41 -28.62 68.07 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.846 -1.159 . . . . 0.0 113.773 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -62.24 -63.25 1.3 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.194 1.361 . . . . 0.0 111.177 165.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.15 -22.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 120.525 -1.359 . . . . 0.0 113.474 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.8 mmt -100.62 10.78 40.72 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.473 1.109 . . . . 0.0 113.411 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . 0.281 0.2 OUTLIER -69.71 -55.44 9.94 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 119.916 -1.74 . . . . 0.0 109.2 168.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER 48.44 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.618 2.767 . . . . 0.0 116.609 -169.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.3 t -39.98 142.87 0.31 Allowed 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.287 3.435 . . . . 0.0 118.095 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.4 m -74.59 -22.84 58.76 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.726 1.61 . . . . 0.0 111.329 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 45.7 tp -121.32 89.06 3.05 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.534 ' C ' ' HZ3' ' A' ' 100' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.262 1.742 0 C-N-CA 126.932 2.093 . . . . 0.0 112.014 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 . . . . . 0 N--CA 1.511 2.577 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -72.31 72.98 0.96 Allowed 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.38 -1.45 . . . . 0.0 109.19 157.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.53 -62.66 1.43 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.492 1.517 . . . . 0.0 108.764 -170.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -62.06 -31.36 71.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -102.88 176.81 5.03 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 123.168 1.461 . . . . 0.0 112.18 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -70.92 72.15 0.55 Allowed 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -175.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -50.48 134.05 24.17 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.836 1.655 . . . . 0.0 114.437 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.21 -60.27 2.95 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.054 -2.904 . . . . 0.0 113.335 -13.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 3.0 p -147.83 160.59 42.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 131.538 3.935 . . . . 0.0 106.597 -7.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.31 -55.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -163.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 tp 71.21 -42.42 0.53 Allowed 'General case' 0 C--N 1.355 0.847 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -59.89 -41.4 91.55 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.349 -1.469 . . . . 0.0 110.467 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -30.03 -59.62 0.17 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 130.109 3.364 . . . . 0.0 114.896 156.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.43 -36.99 52.62 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.334 1.054 . . . . 0.0 111.172 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.63 -46.84 88.78 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.626 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -70.85 -37.86 73.15 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.206 -0.934 . . . . 0.0 112.863 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.17 -15.53 62.53 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.224 -1.547 . . . . 0.0 113.745 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -85.56 -63.84 1.26 Allowed 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 124.888 1.275 . . . . 0.0 109.944 163.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.93 -17.47 8.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -162.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.26 1.647 0 O-C-N 120.739 -1.226 . . . . 0.0 109.966 -177.002 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.504 2.26 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -42.69 47.77 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.465 2.306 . . . . 0.0 114.337 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -133.7 144.75 49.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 160.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.4 mtm 66.27 163.6 0.17 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.44 1.496 . . . . 0.0 114.414 -173.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.5 m -169.15 -175.63 2.34 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -70.01 120.9 16.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.903 0.881 . . . . 0.0 111.647 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -148.63 131.01 15.65 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -24.57 -70.86 0.03 OUTLIER 'General case' 0 C--N 1.35 0.63 0 C-N-CA 129.214 3.006 . . . . 0.0 117.462 178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.9 p -57.99 -56.98 14.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 124.832 1.253 . . . . 0.0 112.966 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -62.43 -37.81 87.27 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.794 -1.191 . . . . 0.0 112.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.38 -57.74 10.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.701 1.201 . . . . 0.0 110.715 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -59.5 -39.64 84.44 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -67.19 -43.58 88.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 O-C-N 120.468 -1.395 . . . . 0.0 111.515 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.66 -42.77 98.05 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.301 -1.499 . . . . 0.0 111.733 173.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -57.49 -49.22 76.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.235 1.414 . . . . 0.0 111.828 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.97 84.54 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 121.071 -1.018 . . . . 0.0 112.859 171.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.49 -48.13 77.81 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.353 1.061 . . . . 0.0 112.872 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.9 -27.76 61.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.714 -1.241 . . . . 0.0 113.195 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.165 -1.584 . . . . 0.0 111.982 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.416 ' CD2' HG11 ' A' ' 129' ' ' VAL . 5.0 m-85 -64.8 -58.14 7.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.154 -0.966 . . . . 0.0 111.246 162.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -74.29 54.04 0.54 Allowed 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.663 1.585 . . . . 0.0 112.058 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.477 ' CG ' HH22 ' A' ' 128' ' ' ARG . 38.5 t0 -54.81 -34.87 63.27 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.667 3.187 . . . . 0.0 110.42 172.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -81.06 -8.75 59.84 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 53.0 55.67 8.61 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.689 2.395 . . . . 0.0 114.044 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 t -111.38 -9.45 14.25 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.55 -20.03 52.04 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 120.389 -1.444 . . . . 0.0 113.465 167.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -138.91 135.43 34.43 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 157' ' ' VAL . 46.0 mt -75.83 97.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 120.613 -1.304 . . . . 0.0 108.453 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m -67.23 167.48 12.15 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.055 1.742 . . . . 0.0 112.959 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.95 -50.18 67.04 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.954 1.302 . . . . 0.0 112.673 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -64.72 -36.83 85.55 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 121.052 -1.03 . . . . 0.0 112.526 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.69 -40.86 72.65 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 123.66 0.784 . . . . 0.0 110.394 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.34 -44.34 88.7 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.681 -1.262 . . . . 0.0 112.021 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -28.25 62.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.807 -1.183 . . . . 0.0 113.265 176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.477 HH22 ' CG ' ' A' ' 115' ' ' ASP . 6.3 mmm180 -56.84 -59.67 4.7 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.529 -1.357 . . . . 0.0 112.107 165.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 113' ' ' PHE . 8.6 p -58.36 -39.15 73.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 120.443 -1.41 . . . . 0.0 112.38 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.59 75.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.72 -54.08 50.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.61 -1.306 . . . . 0.0 111.929 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -32.1 64.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 121.012 0.434 . . . . 0.0 111.615 -166.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.01 -48.06 63.97 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.065 1.346 . . . . 0.0 110.665 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.69 68.72 0.44 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -77.86 -167.61 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -175.21 37.77 0.01 OUTLIER 'General case' 0 C--N 1.351 0.67 0 C-N-CA 125.956 1.703 . . . . 0.0 108.079 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.5 -132.18 0.29 Allowed 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 53.9 m -166.12 160.48 16.33 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.18 -34.67 23.41 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 128.215 2.606 . . . . 0.0 114.758 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.46 -56.71 18.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.752 2.021 . . . . 0.0 111.958 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -53.43 -47.61 69.48 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.85 1.66 . . . . 0.0 112.763 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.65 -37.58 82.0 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.61 -1.307 . . . . 0.0 113.0 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.37 -39.32 85.68 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.396 -1.44 . . . . 0.0 112.014 172.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -66.66 -39.61 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.023 -1.048 . . . . 0.0 111.798 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.6 mtp -57.46 -46.77 83.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.826 -1.171 . . . . 0.0 113.176 167.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.8 mm -57.07 -48.26 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 O-C-N 120.146 -1.596 . . . . 0.0 112.389 170.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.03 -49.44 75.82 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.954 1.252 . . . . 0.0 111.492 175.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -38.4 -47.51 1.25 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.095 1.758 . . . . 0.0 113.482 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.11 -63.84 1.32 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 166.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -89.95 95.44 10.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.85 2.06 . . . . 0.0 110.385 -166.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -61.21 -49.42 77.22 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.051 1.74 . . . . 0.0 112.411 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.5 -44.83 93.01 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 127.429 2.291 . . . . 0.0 110.735 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.3 -21.52 37.17 Favored Glycine 0 C--N 1.357 1.704 0 O-C-N 121.466 -0.771 . . . . 0.0 112.311 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -96.75 -53.52 3.52 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 125.973 1.709 . . . . 0.0 109.983 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -80.25 52.03 4.24 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.189 1.376 . . . . 0.0 115.64 -167.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -9.45 171.95 0.0 OUTLIER 'General case' 0 C--N 1.352 0.713 1 C-N-CA 135.803 5.641 . . . . 0.0 121.483 174.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 121' ' ' ILE . 10.8 t -92.4 103.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 O-C-N 117.059 -3.526 . . . . 0.0 113.537 -153.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 91.5 p -86.03 -178.83 6.64 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.671 -1.893 . . . . 0.0 111.322 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -63.97 -30.44 71.52 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -70.59 -41.39 72.41 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.862 -1.149 . . . . 0.0 111.925 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -66.34 -40.5 89.9 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.016 -1.053 . . . . 0.0 109.904 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.71 -52.25 66.31 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.089 1.755 . . . . 0.0 111.576 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.99 -47.54 64.86 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.564 -1.335 . . . . 0.0 112.436 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.71 -54.45 44.13 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 124.111 0.964 . . . . 0.0 113.26 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.44 -17.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 90.8 mmm -73.72 -45.93 49.16 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.586 -1.321 . . . . 0.0 110.619 167.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -67.87 -49.07 64.11 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.257 -0.902 . . . . 0.0 112.708 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . 0.365 0.2 OUTLIER 41.8 -97.49 0.02 OUTLIER 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.822 2.449 . . . . 0.0 115.436 -178.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 24.4 m -145.49 61.67 1.28 Allowed 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 119.463 -2.023 . . . . 0.0 106.462 155.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 22.8 t -87.73 36.75 0.77 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.046 -1.034 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -155.15 -64.37 0.12 Allowed 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--O 1.263 1.805 0 C-N-CA 127.775 2.43 . . . . 0.0 108.481 -170.733 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . 0.649 ' H1 ' ' CG ' ' B' ' 643' ' ' ASP . 87.9 mtm180 . . . . . 0 N--CA 1.511 2.61 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -69.62 -43.27 73.06 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 130.562 3.545 . . . . 0.0 113.611 5.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . 0.649 ' CG ' ' H1 ' ' B' ' 641' ' ' ARG . 4.0 m-20 71.23 -120.9 0.09 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.173 1.789 . . . . 0.0 111.158 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.71 143.8 51.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' B' ' 648' ' ' HIS . 13.5 t-160 -81.35 61.89 5.03 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.404 -0.81 . . . . 0.0 112.818 -170.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . 0.425 ' CD2' ' HG3' ' B' ' 647' ' ' GLN . 18.6 t60 -128.36 161.73 28.76 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 176.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' B' ' 646' ' ' HIS . 70.7 mt-30 47.81 54.7 9.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.122 2.169 . . . . 0.0 116.004 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . 0.4 ' CE1' ' CD2' ' B' ' 645' ' ' HIS . 41.5 m-70 -49.04 -46.51 44.32 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -170.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 8.1 t -85.05 -158.8 0.39 Allowed 'General case' 0 C--N 1.351 0.661 0 CA-C-O 121.918 0.866 . . . . 0.0 111.652 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.61 170.82 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 125.677 1.591 . . . . 0.0 108.772 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.9 tp 73.48 -52.73 0.7 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 126.175 1.79 . . . . 0.0 113.928 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.42 -36.19 73.22 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 125.526 1.53 . . . . 0.0 110.039 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -11.63 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 130.637 3.575 . . . . 0.0 115.396 152.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -90.32 -35.46 15.24 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.131 -174.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.8 -35.21 78.23 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.074 -1.016 . . . . 0.0 111.944 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -41.35 66.18 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 120.98 -1.075 . . . . 0.0 111.134 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.09 62.78 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.11 -1.618 . . . . 0.0 112.821 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.86 -60.82 2.04 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 124.014 0.926 . . . . 0.0 110.382 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.84 -36.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.256 1.419 0 O-C-N 120.792 -1.192 . . . . 0.0 113.704 -162.027 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.518 2.953 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -71.44 93.53 1.18 Allowed 'General case' 0 C--N 1.355 0.83 0 O-C-N 120.87 -1.144 . . . . 0.0 111.754 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -152.88 149.53 28.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.07 147.32 26.73 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m -172.59 163.38 5.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.43 105.97 16.16 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 104' ' ' GLU . 2.3 mmpm? -166.07 79.32 0.27 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 -177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.02 -140.24 0.3 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.596 0.712 . . . . 0.0 111.521 -156.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.9 p -57.36 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -148.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.42 -31.0 71.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.721 -1.237 . . . . 0.0 112.003 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 100' ' ' LYS . 16.0 pt-20 -69.25 -38.57 78.51 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.848 -1.157 . . . . 0.0 112.145 173.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.5 -35.29 77.3 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.486 -1.384 . . . . 0.0 111.577 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.7 -52.49 56.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 O-C-N 120.536 -1.352 . . . . 0.0 111.38 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.9 mt -57.34 -45.04 84.7 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.434 -1.416 . . . . 0.0 113.612 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -59.98 -45.11 93.77 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.919 -1.113 . . . . 0.0 112.317 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.3 91.03 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.904 1.282 . . . . 0.0 112.047 173.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.82 -45.58 74.44 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 121.083 -1.011 . . . . 0.0 112.096 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -68.53 -27.1 65.8 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.8 mt -69.79 -28.17 65.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.426 -1.421 . . . . 0.0 113.059 171.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -85.12 -46.08 11.46 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.438 -0.789 . . . . 0.0 110.797 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -89.88 71.95 7.55 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.732 -1.855 . . . . 0.0 111.335 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -40.41 86.64 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.894 1.678 . . . . 0.0 111.835 170.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -80.1 -10.76 59.78 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.468 1.107 . . . . 0.0 111.221 -164.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 68.87 47.22 0.81 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.697 1.599 . . . . 0.0 111.9 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -97.99 -12.47 21.92 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.437 -0.789 . . . . 0.0 110.86 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.91 13.51 74.75 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 120.965 -1.085 . . . . 0.0 112.217 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -136.94 150.69 48.34 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 82.1 mt -101.07 100.67 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 160.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -81.55 179.39 7.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.249 1.023 . . . . 0.0 111.417 169.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -60.47 -36.14 77.55 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.546 -1.346 . . . . 0.0 111.372 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.15 -43.4 98.95 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.42 -1.425 . . . . 0.0 111.144 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -68.97 -38.66 79.5 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 111.786 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -50.31 73.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.96 0.904 . . . . 0.0 111.286 167.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -59.97 -39.52 85.93 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.871 -1.143 . . . . 0.0 113.961 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -49.62 -53.69 22.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.436 1.471 . . . . 0.0 112.647 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.14 -39.6 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 111.375 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.24 75.04 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -17.51 49.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.008 1.276 . . . . 0.0 114.109 174.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -77.07 -34.18 57.04 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.545 -1.347 . . . . 0.0 110.781 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.22 -49.03 38.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.348 -0.845 . . . . 0.0 110.023 165.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.68 104.39 2.82 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.93 113.16 2.64 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -108.89 14.88 23.9 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -132.41 153.55 50.7 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 m -80.26 156.63 26.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.946 0.879 . . . . 0.0 111.008 -172.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.37 -33.53 63.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.513 2.325 . . . . 0.0 113.683 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.87 -39.31 58.75 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.101 2.16 . . . . 0.0 113.424 168.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -75.25 -40.81 58.54 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.854 -1.154 . . . . 0.0 110.456 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -61.68 -40.57 95.45 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 120.722 -1.236 . . . . 0.0 111.589 172.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.36 -47.81 84.45 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.933 1.293 . . . . 0.0 112.636 170.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -56.44 -43.64 79.66 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.366 1.466 . . . . 0.0 112.492 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.7 mtp -54.84 -44.14 73.68 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.682 -1.261 . . . . 0.0 113.897 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.5 mm -62.79 -49.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.998 -1.064 . . . . 0.0 111.646 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.64 -43.1 97.78 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.187 0.995 . . . . 0.0 112.581 -174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -26.71 63.07 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.465 -1.397 . . . . 0.0 112.185 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.48 -59.67 3.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.8 -2.438 . . . . 0.0 113.214 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -69.49 97.44 1.0 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-O 123.384 1.564 . . . . 0.0 113.445 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -37.64 14.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 126.761 2.025 . . . . 0.0 107.71 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 -43.52 95.58 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.471 1.508 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.04 67.07 0.93 Allowed Glycine 0 C--N 1.353 1.509 0 O-C-N 121.421 -0.799 . . . . 0.0 112.171 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -105.43 -52.28 2.86 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.449 1.5 . . . . 0.0 107.527 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.71 -41.99 1.54 Allowed Glycine 0 CA--C 1.495 -1.188 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -115.13 158.74 21.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 122.658 1.218 . . . . 0.0 108.085 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.11 113.07 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 O-C-N 120.205 -1.559 . . . . 0.0 109.575 -167.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.2 p -84.85 163.46 19.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.342 1.057 . . . . 0.0 111.085 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 0.2 OUTLIER -68.49 -30.04 68.78 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.197 -1.564 . . . . 0.0 113.407 -169.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -59.09 -33.75 71.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.144 1.778 . . . . 0.0 113.869 170.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.72 -48.05 12.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.486 1.114 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -51.08 -49.41 60.72 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 125.898 1.679 . . . . 0.0 112.267 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -65.59 -48.93 70.67 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 120.575 -1.328 . . . . 0.0 112.496 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -70.11 -28.91 37.78 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 121.588 -0.695 . . . . 0.0 111.219 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 20.6 mmt -69.97 -47.47 62.14 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.491 -0.756 . . . . 0.0 112.168 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.011 1.324 . . . . 0.0 113.136 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -58.51 -72.69 0.09 Allowed 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.547 -0.72 . . . . 0.0 112.036 162.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.1 m 24.47 66.97 0.04 OUTLIER 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.41 2.284 . . . . 0.0 114.766 -160.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 95.1 p -97.56 18.66 14.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.354 1.062 . . . . 0.0 109.932 -169.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 35.4 tp 73.72 70.44 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 -141.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--O 1.264 1.846 0 C-N-CA 126.771 2.028 . . . . 0.0 112.991 -173.696 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . 0.557 ' H1 ' ' CG ' ' B' ' 643' ' ' ASP . 87.9 mtt-85 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -83.91 121.0 26.76 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.856 3.262 . . . . 0.0 110.204 -1.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . 0.557 ' CG ' ' H1 ' ' B' ' 641' ' ' ARG . 0.2 OUTLIER -163.08 167.56 22.14 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -173.632 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 90.2 mt -139.94 144.58 37.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -170.45 -173.05 1.36 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.046 -3.316 . . . . 0.0 102.046 173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -89.9 131.76 35.65 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.173 0.987 . . . . 0.0 108.711 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.48 -5.95 28.43 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -161.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . 0.269 68.4 m-70 83.1 157.64 0.12 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 126.605 1.962 . . . . 0.0 110.019 -165.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 1.9 m -145.89 166.87 24.7 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -156.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 26.4 m -102.79 -175.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 130.339 3.455 . . . . 0.0 111.982 5.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 15.9 tp 76.06 -56.25 0.58 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.073 1.749 . . . . 0.0 115.589 162.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -75.51 -6.85 52.27 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.824 -1.172 . . . . 0.0 112.668 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -56.29 -57.99 9.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.812 2.045 . . . . 0.0 110.73 161.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.76 -43.3 59.41 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.356 1.462 . . . . 0.0 110.698 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.79 -36.28 83.08 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 113.092 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -71.95 -41.22 68.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.654 -1.278 . . . . 0.0 112.253 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.78 -24.5 66.2 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.427 -0.796 . . . . 0.0 111.594 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -106.04 29.68 6.51 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 124.485 1.114 . . . . 0.0 111.454 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . 0.32 52.6 t 136.58 -51.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 128.43 2.692 . . . . 0.0 111.901 154.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.265 1.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -150.226 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . 0.338 70.7 mt-30 77.0 158.33 0.2 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.481 1.912 . . . . 0.0 110.285 -163.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -134.53 156.1 49.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -162.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.5 mtt -89.4 155.14 19.52 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m 179.02 79.91 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 121.136 -0.978 . . . . 0.0 109.289 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -117.65 -39.26 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.639 0.733 . . . . 0.0 109.283 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HD3' ' H ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -134.79 -94.49 0.28 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.413 ' H ' ' HD3' ' A' ' 100' ' ' LYS . 9.9 m-20 68.28 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.064 1.746 . . . . 0.0 115.712 149.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 t -49.66 -48.19 49.62 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.493 1.917 . . . . 0.0 115.083 -156.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -68.3 -37.28 80.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.739 -1.226 . . . . 0.0 113.014 -176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -82.19 -34.2 29.11 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.627 -1.296 . . . . 0.0 110.847 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.068 1.747 . . . . 0.0 111.736 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.93 -39.51 84.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 O-C-N 121.12 -0.987 . . . . 0.0 111.553 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.45 -44.71 92.9 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.396 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -58.79 -56.74 18.28 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.358 -0.839 . . . . 0.0 111.92 168.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.73 82.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.67 -39.98 88.39 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.635 -1.291 . . . . 0.0 109.996 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -33.38 74.5 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.88 -41.06 83.36 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.037 -1.039 . . . . 0.0 112.867 170.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.52 -51.0 13.98 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.853 -1.155 . . . . 0.0 113.173 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.14 99.09 6.82 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.932 -1.105 . . . . 0.0 110.504 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -68.61 -50.92 47.78 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.004 2.121 . . . . 0.0 112.287 -166.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -87.65 -4.55 58.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.62 1.568 . . . . 0.0 110.836 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.353 15.8 pt-20 49.43 57.44 6.5 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.321 2.648 . . . . 0.0 114.978 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -83.46 -14.13 53.19 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.302 -0.874 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.62 28.2 8.07 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -149.21 126.1 11.2 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.04 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.924 -1.735 . . . . 0.0 107.187 164.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.1 p -79.08 167.06 21.59 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.227 1.011 . . . . 0.0 111.575 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.03 -39.81 79.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.031 0.932 . . . . 0.0 111.35 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.87 1.268 . . . . 0.0 111.553 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -75.21 -30.31 60.57 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 121.562 0.696 . . . . 0.0 110.76 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -52.54 65.33 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.344 -1.472 . . . . 0.0 112.242 164.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.46 -35.61 76.29 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 119.918 -1.739 . . . . 0.0 113.059 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -56.09 26.28 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.88 1.272 . . . . 0.0 111.542 168.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.53 -34.35 69.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.247 -1.533 . . . . 0.0 112.692 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.16 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 120.569 -1.332 . . . . 0.0 113.39 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.83 -30.09 67.52 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.312 -1.493 . . . . 0.0 113.443 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.06 -38.61 82.64 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.196 0.907 . . . . 0.0 112.24 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -42.71 81.78 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.774 -1.204 . . . . 0.0 111.077 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.08 58.63 0.78 Allowed Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 153.38 43.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.06 63.14 1.6 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 168.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.81 -126.14 0.16 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.3 m -145.4 -108.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 101.546 -3.502 . . . . 0.0 101.546 156.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -132.59 -30.88 1.41 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 121.223 1.829 . . . . 0.0 111.394 167.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -52.03 -45.92 64.81 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 128.574 2.75 . . . . 0.0 112.601 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -54.2 -51.32 64.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.205 1.802 . . . . 0.0 113.551 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.2 -21.55 42.83 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 119.936 -1.727 . . . . 0.0 111.998 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -42.28 81.39 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.651 -1.28 . . . . 0.0 110.909 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.71 -47.31 77.07 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 111.04 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 98.7 mtp -50.53 -49.78 54.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 170.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.53 -54.68 28.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 124.304 1.041 . . . . 0.0 112.535 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.33 -36.28 82.5 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.783 0.833 . . . . 0.0 112.691 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.88 -40.38 91.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.833 -1.167 . . . . 0.0 110.809 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.77 20.89 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 120.755 -1.216 . . . . 0.0 112.866 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.64 45.87 0.42 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-O 123.572 1.653 . . . . 0.0 111.816 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 32.8 ttm105 -61.42 -32.31 72.27 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.641 1.976 . . . . 0.0 112.684 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -128.07 14.03 6.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.253 1.021 . . . . 0.0 110.497 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.8 -124.56 5.36 Favored Glycine 0 C--N 1.361 1.921 0 N-CA-C 117.43 1.732 . . . . 0.0 117.43 -155.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.21 42.78 0.94 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-O 122.169 0.985 . . . . 0.0 109.965 -165.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.62 -38.7 2.49 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 119.294 -2.128 . . . . 0.0 112.832 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -125.62 142.38 51.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 127.105 2.162 . . . . 0.0 106.379 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 126.82 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-O 122.036 0.922 . . . . 0.0 111.52 -155.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 p -76.34 168.66 19.66 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.808 1.243 . . . . 0.0 111.998 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.82 -39.46 94.27 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.03 -1.044 . . . . 0.0 113.256 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.83 -38.99 80.22 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.779 -1.201 . . . . 0.0 111.263 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.76 -39.37 80.29 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.623 -1.298 . . . . 0.0 110.271 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.5 -49.72 76.7 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.385 1.074 . . . . 0.0 112.148 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.59 -50.58 53.48 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.573 1.149 . . . . 0.0 113.478 170.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -55.78 -50.33 70.75 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.042 0.937 . . . . 0.0 113.457 176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.295 2.0 pp -74.02 -29.21 24.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.93 66.53 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.679 -1.263 . . . . 0.0 111.744 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -69.05 -74.56 0.13 Allowed 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.554 169.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 49.78 -91.99 0.02 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.1 m -43.29 101.93 0.02 OUTLIER 'General case' 0 C--N 1.362 1.152 0 C-N-CA 128.398 2.679 . . . . 0.0 113.366 174.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 54.0 m -124.39 46.69 2.24 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -174.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 87.46 56.12 0.01 OUTLIER 'General case' 0 C--N 1.355 0.806 0 C-N-CA 128.154 2.581 . . . . 0.0 108.212 -169.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--O 1.261 1.688 0 CA-C-O 117.316 -1.326 . . . . 0.0 107.797 -178.097 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 119.822 -0.132 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -84.39 75.09 10.27 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.639 -1.288 . . . . 0.0 109.323 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.28 -73.64 0.64 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.607 1.163 . . . . 0.0 109.164 -175.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 62.6 mt 66.41 71.68 0.39 Allowed 'General case' 0 C--N 1.349 0.585 0 C-N-CA 127.24 2.216 . . . . 0.0 112.29 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -129.63 -40.02 1.42 Allowed 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 118.009 -2.932 . . . . 0.0 111.149 4.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -66.76 88.22 0.14 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.679 1.591 . . . . 0.0 113.347 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.71 59.0 0.84 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.955 1.302 . . . . 0.0 112.928 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -76.63 118.92 19.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.829 1.252 . . . . 0.0 107.86 172.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 9.6 t -134.4 97.25 3.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -165.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . 0.575 ' H ' ' CE1' ' B' ' 652' ' ' HIS . 3.3 t -130.06 -119.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.742 -0.599 . . . . 0.0 109.466 -166.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 30.1 tp -76.82 -28.08 55.43 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.591 -1.943 . . . . 0.0 111.511 -176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . 0.575 ' CE1' ' H ' ' B' ' 650' ' ' VAL . 19.9 p-80 -63.71 -26.97 68.89 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.822 1.649 . . . . 0.0 112.399 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -42.55 -59.95 1.71 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.652 1.581 . . . . 0.0 112.659 165.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.69 83.76 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 124.795 1.238 . . . . 0.0 111.781 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.23 -48.66 41.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.622 -0.674 . . . . 0.0 112.291 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.37 -44.64 71.12 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.796 -1.19 . . . . 0.0 111.679 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -87.27 5.82 36.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.253 -0.904 . . . . 0.0 111.659 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -78.03 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.633 -1.292 . . . . 0.0 107.643 156.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.05 -46.39 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -169.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.26 1.646 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -171.025 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.519 3.012 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -76.59 111.97 12.64 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 121.018 -1.051 . . . . 0.0 111.633 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -138.69 -59.58 0.61 Allowed 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.78 -0.575 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.6 mtt -93.33 7.57 43.88 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.269 -0.895 . . . . 0.0 113.018 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 t -92.41 -126.07 0.09 Allowed 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.809 1.243 . . . . 0.0 109.463 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 96.41 0.06 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.513 1.925 . . . . 0.0 108.997 166.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HZ2' ' CG ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -122.29 9.46 9.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.421 1.088 . . . . 0.0 108.632 173.183 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.471 ' CG ' ' HZ2' ' A' ' 100' ' ' LYS . 1.9 m-20 -129.31 -44.8 1.24 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.941 1.696 . . . . 0.0 113.073 -143.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.358 3.6 t -98.1 -94.56 0.23 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.623 -1.298 . . . . 0.0 110.577 -171.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -70.95 -33.75 70.79 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.12 -2.237 . . . . 0.0 109.35 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.3 -36.7 71.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 170.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -67.02 -40.6 87.27 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 117.818 -3.051 . . . . 0.0 112.46 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.84 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 120.913 -1.117 . . . . 0.0 110.832 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.29 -40.98 92.38 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.222 1.809 . . . . 0.0 113.142 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -62.34 -43.24 99.3 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.216 1.807 . . . . 0.0 112.732 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.71 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.402 -0.811 . . . . 0.0 111.71 169.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -55.78 -43.29 76.62 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.479 1.512 . . . . 0.0 113.136 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -55.92 -38.14 69.87 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.753 2.421 . . . . 0.0 114.025 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.211 1.004 . . . . 0.0 111.577 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -66.9 -52.92 37.47 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.376 -0.827 . . . . 0.0 112.543 167.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.08 54.77 0.55 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.446 1.498 . . . . 0.0 114.398 -173.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 128' ' ' ARG . 47.4 t0 -41.12 -45.49 2.76 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 131.157 3.783 . . . . 0.0 113.888 172.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -89.56 -4.39 57.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.125 1.37 . . . . 0.0 111.941 -166.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 61.49 62.84 1.26 Allowed 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.745 1.618 . . . . 0.0 112.179 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -129.7 -17.88 3.56 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.552 0.741 . . . . 0.0 112.363 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.58 28.44 43.32 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 119.521 1.055 . . . . 0.0 113.147 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.467 ' HZ3' ' CG ' ' A' ' 154' ' ' ASP . 56.7 mttt -156.62 122.45 4.86 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -176.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 55.1 mt -80.0 95.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 O-C-N 120.234 -1.541 . . . . 0.0 108.955 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 p -78.44 176.27 9.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.958 1.361 . . . . 0.0 111.67 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -51.62 -46.51 63.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.45 1.9 . . . . 0.0 112.693 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.56 -50.15 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.824 1.25 . . . . 0.0 111.524 175.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -59.49 -41.97 91.04 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.801 1.64 . . . . 0.0 112.016 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -46.75 82.66 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.985 0.914 . . . . 0.0 113.207 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -19.56 57.11 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.559 -1.338 . . . . 0.0 114.195 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 115' ' ' ASP . 3.5 tmt_? -59.07 -52.42 65.83 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 126.46 1.904 . . . . 0.0 110.3 166.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.1 -44.47 91.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.048 1.339 . . . . 0.0 112.072 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.88 69.32 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.97 -24.6 59.64 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.85 -42.75 85.21 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.279 -0.888 . . . . 0.0 112.147 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.2 -43.08 68.09 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.239 -0.913 . . . . 0.0 110.696 170.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.04 38.84 4.48 Favored Glycine 0 CA--C 1.494 -1.271 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -175.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.15 159.06 16.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 122.421 1.105 . . . . 0.0 112.417 -171.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.95 82.01 5.13 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.264 -0.897 . . . . 0.0 111.966 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pt? -153.28 159.68 42.59 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 121.192 -0.943 . . . . 0.0 113.082 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.438 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 4.2 m -118.54 -110.1 0.35 Allowed 'General case' 0 C--N 1.353 0.761 0 C-N-CA 126.985 2.114 . . . . 0.0 110.74 -149.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -111.49 -54.15 2.64 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 119.917 -1.739 . . . . 0.0 106.688 163.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -42.8 -53.17 4.73 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 130.699 3.6 . . . . 0.0 114.443 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 138' ' ' THR . 3.0 mp0 -73.71 -33.1 64.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.703 1.601 . . . . 0.0 110.66 -172.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.56 -43.82 72.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.752 1.221 . . . . 0.0 109.241 172.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.07 -44.33 96.91 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.289 1.436 . . . . 0.0 111.553 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -54.26 -52.65 60.72 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.055 1.742 . . . . 0.0 111.899 169.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 mtm -55.03 -44.99 75.16 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.638 -1.289 . . . . 0.0 114.235 174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.67 -47.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 121.37 -0.832 . . . . 0.0 112.636 174.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.06 -25.66 59.95 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.054 -1.029 . . . . 0.0 113.069 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -64.4 -50.41 67.73 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.543 -1.348 . . . . 0.0 109.664 164.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.85 -54.26 16.74 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -79.9 94.47 5.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.971 -1.081 . . . . 0.0 112.536 -164.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -85.09 -23.21 28.6 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 120.52 -1.362 . . . . 0.0 111.792 -169.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.61 -40.28 61.64 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.875 1.27 . . . . 0.0 109.474 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.31 43.29 2.39 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 120.74 -1.225 . . . . 0.0 111.024 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.467 ' CG ' ' HZ3' ' A' ' 120' ' ' LYS . 46.7 t0 -85.6 -52.95 5.47 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.973 1.309 . . . . 0.0 107.844 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.46 17.29 7.16 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 125.648 1.594 . . . . 0.0 109.757 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.9 119.56 0.16 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 123.68 1.705 . . . . 0.0 108.119 -162.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.16 116.68 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.255 -148.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.4 p -76.75 168.45 20.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 124.588 1.155 . . . . 0.0 112.796 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -43.18 89.4 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.166 -1.583 . . . . 0.0 113.209 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -59.21 -37.45 77.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.042 1.337 . . . . 0.0 114.036 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.483 1.113 . . . . 0.0 110.178 175.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -52.2 -46.42 65.58 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.046 1.738 . . . . 0.0 112.393 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.4 mt -58.44 -36.99 74.49 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -69.15 -49.94 52.25 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.285 -1.509 . . . . 0.0 110.96 174.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -76.38 -12.92 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 113.001 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 15.2 mmt -74.65 -39.93 61.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 120.543 -1.348 . . . . 0.0 112.192 167.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -33.48 38.68 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 119.937 -1.727 . . . . 0.0 112.272 171.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 72.01 -79.7 0.04 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.185 2.194 . . . . 0.0 112.679 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 50.6 m 82.07 103.63 0.06 Allowed 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 127.676 2.39 . . . . 0.0 110.383 -163.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 41.1 t -126.46 48.42 2.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 166.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.1 tp 73.72 61.41 0.09 Allowed 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.467 1.907 . . . . 0.0 107.629 -161.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.267 1.989 0 N-CA-C 104.411 -2.44 . . . . 0.0 104.411 -168.743 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 N--CA 1.502 2.137 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -99.1 -166.99 1.42 Allowed 'General case' 0 C--N 1.361 1.099 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.2 147.8 24.09 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 118.528 2.788 . . . . 0.0 118.528 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 50.0 tp -134.75 102.96 5.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 157.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -90.37 42.88 1.12 Allowed 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.55 -1.344 . . . . 0.0 111.53 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -124.58 105.27 9.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -138.14 -70.93 0.43 Allowed 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 118.552 -2.592 . . . . 0.0 107.188 -8.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -87.81 152.31 22.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 121.523 -0.736 . . . . 0.0 110.017 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 42.2 m 60.51 29.18 18.82 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 13.8 m -77.38 64.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 123.341 1.543 . . . . 0.0 111.478 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.85 -26.8 13.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 125.881 1.673 . . . . 0.0 111.097 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -65.82 -32.28 73.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 125.399 1.479 . . . . 0.0 110.076 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -50.34 -55.86 13.75 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.602 1.961 . . . . 0.0 112.301 162.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.76 84.8 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.453 -1.404 . . . . 0.0 112.251 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.0 -49.88 72.92 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.096 -1.003 . . . . 0.0 112.524 175.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.55 -13.7 59.85 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 120.786 -1.196 . . . . 0.0 112.613 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -73.06 -22.73 60.56 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 122.315 2.325 . . . . 0.0 111.707 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -77.87 -49.28 14.55 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.936 0.894 . . . . 0.0 110.109 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 7.0 p -100.12 -23.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.092 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.631 0.253 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.05 -51.39 68.0 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.164 1.385 . . . . 0.0 111.895 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -50.64 -55.16 17.67 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.684 1.194 . . . . 0.0 112.569 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.69 -44.31 98.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.752 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.45 -47.18 87.25 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.831 -1.168 . . . . 0.0 113.312 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -33.59 63.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.344 -1.473 . . . . 0.0 111.16 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.04 75.53 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 123.963 0.905 . . . . 0.0 112.124 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -49.94 -47.3 52.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 125.245 1.418 . . . . 0.0 112.493 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -66.3 -26.63 67.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.56 -24.51 62.8 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.322 -1.486 . . . . 0.0 113.146 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CG ' HG21 ' A' ' 129' ' ' VAL . 12.7 m-85 -81.34 -51.65 8.13 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 121.358 -0.839 . . . . 0.0 110.781 166.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -75.66 77.68 2.64 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.464 1.106 . . . . 0.0 112.285 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.29 -37.36 77.51 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.487 1.915 . . . . 0.0 112.187 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -77.55 -18.3 57.07 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 125.663 1.585 . . . . 0.0 111.307 -167.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 62.59 37.58 12.95 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.275 2.23 . . . . 0.0 110.498 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -95.66 -20.2 19.11 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 121.761 0.791 . . . . 0.0 110.369 -167.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.44 12.64 55.74 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 120.479 -1.388 . . . . 0.0 110.69 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -135.72 143.97 45.64 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.493 1.117 . . . . 0.0 108.65 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.54 107.44 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 158.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.2 p -85.38 170.57 12.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.9 0.857 . . . . 0.0 110.753 170.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -45.54 -48.82 14.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.625 1.97 . . . . 0.0 112.759 166.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -58.82 -46.57 87.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.552 1.541 . . . . 0.0 112.107 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.961 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -52.68 62.8 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.971 1.308 . . . . 0.0 112.735 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -67.91 -31.97 72.11 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.596 -1.315 . . . . 0.0 113.54 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 132' ' ' GLU . 1.2 tmm_? -62.76 -37.4 86.49 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.767 -1.208 . . . . 0.0 111.888 171.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 113' ' ' PHE . 25.5 t -66.56 -47.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 O-C-N 120.499 -1.376 . . . . 0.0 111.875 169.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.7 64.46 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -77.36 -14.82 59.64 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.441 ' OE1' ' NH1' ' A' ' 128' ' ' ARG . 40.9 tt0 -73.09 -44.1 60.91 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.352 -0.843 . . . . 0.0 110.854 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.37 -37.21 80.21 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.368 -0.833 . . . . 0.0 110.34 170.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.58 25.03 9.54 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.49 124.52 34.58 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -87.34 74.52 9.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 119.978 -1.701 . . . . 0.0 111.522 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.73 145.39 31.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.869 1.268 . . . . 0.0 111.699 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.443 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 28.8 p -95.41 32.79 1.7 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -168.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.46 ' HA ' HD23 ' A' ' 142' ' ' LEU . 0.9 OUTLIER 67.34 -43.88 0.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.31 1.844 . . . . 0.0 115.353 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.81 -39.18 93.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.72 -1.238 . . . . 0.0 113.286 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 138' ' ' THR . 6.0 pm0 -74.68 -24.84 58.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 119.922 -1.736 . . . . 0.0 112.708 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 139' ' ' ASP . 3.2 mm? -63.51 -43.03 98.38 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.372 -1.455 . . . . 0.0 109.531 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.58 -49.45 76.57 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.001 0.921 . . . . 0.0 110.675 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -50.89 -51.62 50.01 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.408 1.083 . . . . 0.0 113.129 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.1 mtm -55.87 -41.84 74.98 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.4 -40.96 56.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.378 -0.826 . . . . 0.0 110.758 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.46 -40.8 97.81 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.939 -1.1 . . . . 0.0 112.562 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -53.28 -54.7 32.46 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.354 2.262 . . . . 0.0 110.966 165.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.6 50.85 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.77 -1.206 . . . . 0.0 114.065 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.7 t70 84.29 92.75 0.03 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 160.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -95.67 1.32 53.48 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.528 -1.357 . . . . 0.0 111.342 161.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.14 -38.87 26.46 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.066 1.346 . . . . 0.0 110.22 -171.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.03 -50.94 0.1 Allowed Glycine 0 C--N 1.353 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 113.335 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.8 -41.73 9.49 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 118.127 0.964 . . . . 0.0 110.173 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 106.45 -53.95 0.6 Allowed Glycine 0 C--N 1.351 1.377 0 O-C-N 120.799 -1.188 . . . . 0.0 110.711 171.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -114.58 -160.32 0.73 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 103.757 -2.683 . . . . 0.0 103.757 161.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.2 t -116.18 107.63 23.06 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 O-C-N 120.365 -1.459 . . . . 0.0 111.846 -159.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.9 p -87.81 -176.05 5.36 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.44 -2.037 . . . . 0.0 110.816 170.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.58 -31.87 72.84 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.219 -1.55 . . . . 0.0 112.659 -174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.67 -37.82 87.56 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.208 -0.933 . . . . 0.0 112.254 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.56 -42.11 83.14 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.24 -1.537 . . . . 0.0 110.339 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.52 -43.66 93.34 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.419 -0.8 . . . . 0.0 111.673 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.93 -45.79 82.5 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.165 -1.584 . . . . 0.0 112.022 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -57.85 -46.22 85.12 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.813 1.188 . . . . 0.0 113.57 171.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -37.48 79.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 O-C-N 120.582 -1.323 . . . . 0.0 112.318 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 95.0 mmm -73.84 -45.48 50.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.283 -1.511 . . . . 0.0 112.112 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt . . . . . 0 C--N 1.356 0.848 0 O-C-N 120.474 -1.391 . . . . 0.0 114.343 -179.781 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.548 0.69 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -57.25 -51.26 70.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.652 1.581 . . . . 0.0 110.577 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -45.47 -46.57 13.75 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 126.753 2.021 . . . . 0.0 113.317 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.08 42.22 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.224 -0.922 . . . . 0.0 112.879 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.42 -49.78 65.61 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.971 -1.08 . . . . 0.0 113.501 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 120.819 -1.176 . . . . 0.0 111.194 -174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.78 -21.68 62.46 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.921 -1.112 . . . . 0.0 113.078 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -84.14 -45.18 13.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.532 -0.73 . . . . 0.0 110.269 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.3 p -86.21 -35.86 9.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.26 1.606 0 CA-C-N 119.581 1.082 . . . . 0.0 110.771 -165.609 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -36.71 73.64 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 0.0 110.904 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -55.66 -50.41 70.3 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.98 1.712 . . . . 0.0 112.875 170.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.12 -46.21 92.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.876 -1.14 . . . . 0.0 112.668 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.6 -39.67 92.06 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.353 -1.467 . . . . 0.0 113.622 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -66.38 -42.92 87.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.037 -1.664 . . . . 0.0 112.436 171.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.97 84.95 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.896 -1.128 . . . . 0.0 112.509 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.42 -44.51 68.84 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.664 1.586 . . . . 0.0 112.878 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -18.81 57.63 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.21 -34.11 59.26 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.845 1.258 . . . . 0.0 111.06 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.409 ' CD1' HG21 ' A' ' 129' ' ' VAL . 12.3 m-85 -59.32 -59.31 5.66 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 121.11 -0.993 . . . . 0.0 112.723 164.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -88.25 91.14 8.67 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.837 -1.164 . . . . 0.0 114.003 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.54 -26.05 66.96 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.749 -1.219 . . . . 0.0 112.735 170.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -87.16 -18.91 29.28 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.255 0.622 . . . . 0.0 110.082 -158.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 66.87 49.46 1.19 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 122.939 1.352 . . . . 0.0 111.561 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -32.74 25.77 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.94 68.99 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -143.68 146.38 33.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 88.6 mt -90.92 101.5 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 O-C-N 120.045 -1.66 . . . . 0.0 108.401 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 p -80.97 174.33 11.73 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.755 -1.216 . . . . 0.0 110.241 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CZ ' HD23 ' A' ' 142' ' ' LEU . 25.1 t80 -49.35 -42.63 42.4 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.489 1.915 . . . . 0.0 111.809 171.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -62.9 -41.35 99.41 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.571 1.548 . . . . 0.0 112.004 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -75.58 -40.77 56.1 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 127.001 2.12 . . . . 0.0 109.07 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -43.81 87.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.604 -1.31 . . . . 0.0 112.978 171.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -61.16 -30.37 70.35 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -56.08 -52.07 65.62 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.758 -1.214 . . . . 0.0 111.337 172.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 113' ' ' PHE . 92.8 t -66.19 -40.76 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.821 0.848 . . . . 0.0 111.137 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.85 75.55 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 171.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -63.0 -53.34 55.45 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 123.849 0.859 . . . . 0.0 112.679 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.2 -30.62 67.77 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.83 -40.63 28.11 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 167.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.7 64.67 1.25 Allowed Glycine 0 C--N 1.352 1.449 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.28 167.35 22.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.32 -17.26 32.83 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 112.275 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.87 179.03 7.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.658 1.183 . . . . 0.0 111.107 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 m -104.87 -73.14 0.69 Allowed 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 120.226 -1.546 . . . . 0.0 108.088 -169.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -150.23 2.07 0.48 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.239 2.215 . . . . 0.0 110.353 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -66.0 -47.05 75.79 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 126.64 1.976 . . . . 0.0 108.117 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 142' ' ' LEU . 1.9 pt-20 -30.04 -63.0 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 129.827 3.251 . . . . 0.0 114.023 172.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 142' ' ' LEU . 0.1 OUTLIER -69.93 -45.69 66.98 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 121.952 -0.467 . . . . 0.0 110.027 -173.013 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.49 -45.64 93.01 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.807 -0.558 . . . . 0.0 112.002 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -51.93 67.68 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 125.222 1.409 . . . . 0.0 111.307 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.0 mtm -59.05 -43.9 91.73 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -57.04 -54.09 34.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 C-N-CA 124.35 1.06 . . . . 0.0 111.053 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.57 -36.87 85.63 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.274 1.03 . . . . 0.0 112.347 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.915 -1.116 . . . . 0.0 112.033 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.8 -52.96 10.06 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -78.95 101.13 7.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.063 1.411 . . . . 0.0 110.678 -171.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -97.91 -26.83 14.53 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.524 -171.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.24 -31.91 21.43 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.148 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.33 74.38 1.16 Allowed Glycine 0 C--N 1.358 1.796 0 CA-C-N 120.121 1.328 . . . . 0.0 112.618 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.36 -54.38 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.63 -44.74 1.26 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -102.07 150.51 23.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 123.213 1.482 . . . . 0.0 107.848 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.3 104.8 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 O-C-N 120.033 -1.667 . . . . 0.0 108.165 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 80.9 p -69.32 175.68 3.81 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.311 1.053 . . . . 0.0 112.913 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -55.39 24.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 126.64 1.976 . . . . 0.0 110.712 172.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.29 -50.81 58.59 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 113.858 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.437 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 12.2 mm-40 -66.74 -36.98 83.72 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.734 -1.228 . . . . 0.0 112.471 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -65.41 -44.48 87.3 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.953 -1.092 . . . . 0.0 112.116 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.59 -42.02 98.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.153 -1.592 . . . . 0.0 111.973 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.437 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 46.7 mtp180 -60.77 -46.04 92.02 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 113.322 172.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -41.22 90.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 120.582 -1.324 . . . . 0.0 112.035 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.9 -42.4 66.8 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.199 -1.563 . . . . 0.0 113.045 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 C--N 1.352 0.69 0 O-C-N 120.399 -1.438 . . . . 0.0 113.282 -179.843 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 25.2 tp . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -61.38 -24.23 66.34 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.24 -1.537 . . . . 0.0 112.718 170.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -51.18 46.55 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.51 1.524 . . . . 0.0 111.83 166.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.18 36.73 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 121.512 -0.742 . . . . 0.0 110.646 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.3 -54.18 23.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 121.184 -0.948 . . . . 0.0 113.188 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 656' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' B' ' 659' ' ' VAL . 77.9 mt-30 -82.27 -28.18 31.94 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 120.464 -1.398 . . . . 0.0 111.799 -165.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.21 -4.58 57.36 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.673 0.669 . . . . 0.0 111.893 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -88.4 -45.72 9.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.259 -0.901 . . . . 0.0 108.887 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 659' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 656' ' ' GLN . 1.3 p -72.93 -37.1 53.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 120.585 -1.322 . . . . 0.0 114.005 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.261 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 178.685 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.49 -50.63 72.81 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.438 1.095 . . . . 0.0 110.607 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.52 -1.363 . . . . 0.0 113.38 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.69 -47.46 91.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.417 -1.427 . . . . 0.0 111.378 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.65 -42.77 97.65 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.746 -1.221 . . . . 0.0 112.186 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.76 -43.14 97.3 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.025 -1.672 . . . . 0.0 113.005 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.99 93.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.65 1.58 . . . . 0.0 112.932 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -53.65 -43.01 68.45 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 125.184 1.394 . . . . 0.0 111.561 170.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -78.14 -12.95 60.03 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.06 -37.7 33.36 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.012 -1.68 . . . . 0.0 109.866 169.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -59.14 -60.92 3.1 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.518 0.727 . . . . 0.0 112.785 163.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -68.12 93.69 0.46 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.43 -39.86 73.78 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 127.435 2.294 . . . . 0.0 114.762 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -87.76 -21.9 24.87 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.617 1.167 . . . . 0.0 109.397 -171.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 69.91 42.7 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.993 2.117 . . . . 0.0 108.921 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.76 -35.78 15.53 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.913 1.285 . . . . 0.0 110.608 -165.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.59 28.04 3.11 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 124.598 1.094 . . . . 0.0 111.427 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -154.13 145.45 22.99 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.287 1.041 . . . . 0.0 110.785 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.0 mt -95.06 100.3 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.0 t -86.9 172.5 10.01 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 120.683 -1.26 . . . . 0.0 110.301 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.04 -40.97 70.81 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 125.556 1.542 . . . . 0.0 111.031 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -51.76 55.73 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 128.4 2.68 . . . . 0.0 111.486 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -70.07 -41.39 74.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 126.332 1.853 . . . . 0.0 111.363 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -53.35 58.68 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.407 1.483 . . . . 0.0 111.361 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -66.22 -34.12 77.29 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.584 0.754 . . . . 0.0 112.879 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -51.91 67.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 121.019 -1.051 . . . . 0.0 112.498 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.8 -41.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 120.085 -1.634 . . . . 0.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.6 -44.67 66.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 170.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -83.03 1.56 39.42 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -82.55 -47.08 12.56 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 119.915 -1.741 . . . . 0.0 109.338 163.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.47 -43.11 73.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.329 0.652 . . . . 0.0 112.165 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 26.85 8.14 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -87.79 115.9 25.57 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.815 0.817 . . . . 0.0 109.29 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -79.32 53.69 1.55 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -171.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.67 147.61 27.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.851 1.31 . . . . 0.0 111.424 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.3 m -83.82 153.7 23.91 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.213 1.405 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.59 -39.59 50.22 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.885 1.674 . . . . 0.0 115.381 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.73 -42.49 75.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.037 1.735 . . . . 0.0 112.983 171.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.69 -36.84 70.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.132 1.373 . . . . 0.0 111.121 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -40.89 94.62 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.723 -1.235 . . . . 0.0 110.934 171.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -66.68 -41.31 88.28 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.37 -0.831 . . . . 0.0 112.44 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.27 -48.82 54.71 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.89 1.276 . . . . 0.0 112.398 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.8 mtm -55.32 -49.18 72.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.92 -53.97 35.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 121.421 -0.799 . . . . 0.0 111.836 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.161 1.385 . . . . 0.0 112.297 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.75 -46.63 89.68 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.472 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.56 -47.63 31.51 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 121.295 -0.878 . . . . 0.0 112.43 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -76.81 68.79 3.07 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 124.202 1.953 . . . . 0.0 111.976 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -63.01 -30.23 71.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.75 2.02 . . . . 0.0 113.195 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.48 -24.66 16.55 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 118.679 -0.677 . . . . 0.0 112.786 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.33 54.2 1.03 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 120.526 1.512 . . . . 0.0 114.246 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.78 -27.35 25.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.132 1.373 . . . . 0.0 109.358 169.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 99.59 0.02 56.69 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 120.466 -1.396 . . . . 0.0 110.898 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -170.05 172.5 6.43 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 103.471 -2.788 . . . . 0.0 103.471 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.6 t -117.9 114.98 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 CA-C-O 122.201 1.0 . . . . 0.0 110.943 -156.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.7 t -83.78 179.98 7.44 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.184 0.992 . . . . 0.0 110.948 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.97 -49.76 74.79 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.791 1.636 . . . . 0.0 112.048 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.78 -41.18 70.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.54 1.536 . . . . 0.0 113.005 171.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.3 mp0 -68.18 -39.1 82.6 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.635 -1.291 . . . . 0.0 111.295 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.03 -42.53 89.46 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.97 -1.081 . . . . 0.0 111.989 173.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.65 -37.11 86.46 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.41 -1.431 . . . . 0.0 113.244 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 36.7 mtt180 -57.75 -51.61 68.85 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.798 1.239 . . . . 0.0 112.755 168.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.77 76.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 120.646 -1.284 . . . . 0.0 112.228 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 17.9 mmt -66.06 -25.69 67.15 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.142 -2.224 . . . . 0.0 113.579 170.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--N 1.353 0.753 0 O-C-N 120.654 -1.279 . . . . 0.0 112.574 169.295 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.513 -0.478 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -46.73 -47.01 20.7 Favored 'General case' 0 CA--C 1.503 -0.863 0 C-N-CA 126.407 1.883 . . . . 0.0 111.6 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -6.63 -70.27 0.0 OUTLIER 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.081 3.352 . . . . 0.0 115.894 152.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.37 -24.85 36.77 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 124.223 1.009 . . . . 0.0 111.507 -168.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 15.7 tp -83.87 -45.48 13.19 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 121.616 0.722 . . . . 0.0 111.066 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.68 -47.1 82.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.468 1.507 . . . . 0.0 111.504 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -80.74 -0.06 36.82 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 121.141 -0.974 . . . . 0.0 112.396 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -82.67 -58.55 2.85 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.325 -1.484 . . . . 0.0 108.127 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.96 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.265 1.878 0 CA-C-O 116.427 -1.749 . . . . 0.0 110.945 176.148 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 118.938 -0.553 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -51.79 68.47 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.209 1.368 . . . . 0.0 111.744 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.01 -46.25 91.51 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.886 1.275 . . . . 0.0 110.985 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.3 mm -69.02 -41.78 81.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 113.328 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.36 -41.48 85.02 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.758 -1.839 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -58.86 -48.77 80.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.697 -1.252 . . . . 0.0 111.589 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.83 86.92 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 113.762 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.82 -47.64 70.69 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.711 1.604 . . . . 0.0 112.09 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -78.17 -18.73 55.17 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.25 -34.78 78.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.378 -1.451 . . . . 0.0 112.554 162.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' ' 129' ' ' VAL . 65.3 m-85 -67.88 -54.8 16.08 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.802 -1.186 . . . . 0.0 112.824 163.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.97 70.49 0.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.985 1.714 . . . . 0.0 113.69 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.416 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 1.1 m-20 -55.16 -45.48 75.71 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 127.138 2.175 . . . . 0.0 113.782 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -7.45 59.48 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.047 1.339 . . . . 0.0 111.596 -163.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 64.1 60.18 1.01 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.318 1.447 . . . . 0.0 112.729 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 t -111.8 -22.34 11.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.301 -0.875 . . . . 0.0 110.126 173.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.72 28.93 44.94 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 119.046 0.839 . . . . 0.0 111.407 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -147.53 147.23 29.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 64.9 mt -96.64 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 CA-C-O 122.2 1.0 . . . . 0.0 108.89 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.2 p -78.69 167.29 21.44 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 122.433 1.111 . . . . 0.0 112.641 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -57.33 -40.86 78.87 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.009 1.724 . . . . 0.0 110.507 170.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.04 -47.69 84.3 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.496 1.918 . . . . 0.0 111.796 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.53 -46.81 87.79 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.5 1.12 . . . . 0.0 112.088 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -50.52 55.21 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.218 1.407 . . . . 0.0 112.594 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -75.44 -17.08 60.26 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.416 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 3.3 mpt_? -65.27 -52.4 54.59 Favored 'General case' 0 C--N 1.363 1.178 0 O-C-N 120.298 -1.502 . . . . 0.0 109.419 163.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.52 HG21 ' CD1' ' A' ' 113' ' ' PHE . 50.9 t -57.06 -45.03 83.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.027 0.931 . . . . 0.0 111.946 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.74 -47.43 64.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 172.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -23.99 58.44 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.765 -1.21 . . . . 0.0 113.384 177.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -68.04 -44.11 77.17 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 121.254 -0.904 . . . . 0.0 112.374 173.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.83 -39.78 63.8 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 121.033 -1.042 . . . . 0.0 111.143 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.06 41.97 1.86 Allowed Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -82.71 120.1 25.16 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.906 0.86 . . . . 0.0 111.539 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 58.83 5.27 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.705 -1.247 . . . . 0.0 109.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 164.43 12.25 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.292 1.037 . . . . 0.0 112.025 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.1 p -90.24 164.47 14.38 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.024 -1.047 . . . . 0.0 110.836 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -60.01 0.95 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 129.487 3.115 . . . . 0.0 114.351 168.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.33 -36.02 30.29 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.843 2.057 . . . . 0.0 115.439 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.099 -1.625 . . . . 0.0 112.184 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.77 -43.11 89.84 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.674 -1.266 . . . . 0.0 110.517 171.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -48.49 79.89 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.092 1.757 . . . . 0.0 111.943 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -49.5 -53.25 24.31 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 127.228 2.211 . . . . 0.0 111.77 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 mtm -57.46 -37.82 73.48 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.91 -51.42 55.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.286 -1.509 . . . . 0.0 111.683 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.35 -36.85 79.86 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.854 0.862 . . . . 0.0 111.609 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.89 -55.49 31.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.959 1.703 . . . . 0.0 112.47 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.21 -51.33 12.3 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -165.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 161' ' ' GLU . 10.9 t70 -80.06 59.43 3.26 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -159.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -66.53 -49.17 67.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.534 1.534 . . . . 0.0 114.282 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -114.74 26.04 10.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.069 -1.019 . . . . 0.0 108.559 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.28 -107.32 2.5 Favored Glycine 0 C--N 1.358 1.793 0 O-C-N 121.452 -0.78 . . . . 0.0 114.651 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.73 -41.46 0.44 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.616 1.166 . . . . 0.0 109.667 -164.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.73 -31.45 1.89 Allowed Glycine 0 C--N 1.354 1.53 0 O-C-N 120.545 -1.347 . . . . 0.0 109.908 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -133.77 154.15 51.2 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 9.2 t -78.2 113.45 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 CA-C-O 121.369 0.604 . . . . 0.0 112.46 -142.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 163.18 22.39 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.54 -0.725 . . . . 0.0 111.393 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.334 -1.479 . . . . 0.0 113.656 -170.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.61 -41.02 84.92 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.519 1.128 . . . . 0.0 110.667 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 150' ' ' ASP . 67.4 mm-40 -79.85 -42.41 24.34 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 125.023 1.329 . . . . 0.0 109.616 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -59.15 -48.08 82.93 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.731 -0.605 . . . . 0.0 111.864 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.02 -28.03 62.11 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.023 -1.673 . . . . 0.0 113.288 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.418 ' NH1' ' OE1' ' A' ' 161' ' ' GLU . 34.6 ttm180 -58.65 -52.82 64.05 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.135 1.334 . . . . 0.0 112.58 171.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.55 -32.86 60.07 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 121.478 -0.764 . . . . 0.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.5 mmt -72.36 -43.46 63.99 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.336 -0.853 . . . . 0.0 112.362 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--N 1.358 0.948 0 C-N-CA 126.307 1.843 . . . . 0.0 113.806 179.049 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 122.237 1.017 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -41.72 99.51 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 126.116 1.766 . . . . 0.0 110.664 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -44.64 -60.32 2.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.392 1.877 . . . . 0.0 112.623 165.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.37 96.16 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.126 1.37 . . . . 0.0 112.54 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.99 -49.75 66.73 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 112.272 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -72.97 -32.76 65.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.63 -1.294 . . . . 0.0 113.507 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.23 61.13 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.512 -1.367 . . . . 0.0 112.545 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -86.73 -56.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 123.782 0.833 . . . . 0.0 110.024 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.33 -29.75 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 120.846 -1.159 . . . . 0.0 110.731 -168.506 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.234 0.248 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.41 -15.4 57.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 121.051 -1.031 . . . . 0.0 110.789 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.47 -32.71 74.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.575 -1.328 . . . . 0.0 112.721 164.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mt -63.24 -41.81 94.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 119.666 -1.896 . . . . 0.0 110.504 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.83 -45.51 92.25 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.686 -1.258 . . . . 0.0 113.249 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -50.97 -53.02 36.81 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.66 1.984 . . . . 0.0 111.806 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.19 97.02 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.349 1.459 . . . . 0.0 112.555 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.76 -44.76 77.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.462 1.105 . . . . 0.0 112.347 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -77.37 -26.97 52.39 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.654 -1.279 . . . . 0.0 114.365 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.47 -35.16 79.54 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.579 -1.951 . . . . 0.0 111.527 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.44 ' CD1' HG21 ' A' ' 129' ' ' VAL . 28.2 m-85 -65.45 -61.46 2.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 158.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -71.47 68.37 0.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.603 1.561 . . . . 0.0 114.814 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.65 -32.02 67.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 129.381 3.072 . . . . 0.0 110.134 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.23 -17.32 60.9 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.297 1.839 . . . . 0.0 111.213 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 58.34 41.0 23.85 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.53 2.332 . . . . 0.0 113.383 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -97.76 -11.15 23.72 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.07 -1.019 . . . . 0.0 112.263 -172.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.74 25.29 53.74 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 120.696 -1.253 . . . . 0.0 110.914 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -152.22 148.25 27.35 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.05 91.86 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 160.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -64.37 159.72 20.57 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.386 1.874 . . . . 0.0 111.745 170.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -56.25 -35.71 67.72 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.367 1.467 . . . . 0.0 110.99 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.87 -52.37 65.72 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.91 1.284 . . . . 0.0 112.01 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.78 -43.29 99.14 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.165 1.786 . . . . 0.0 111.37 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -54.24 48.1 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.509 1.523 . . . . 0.0 112.078 173.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -27.7 64.24 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.75 -1.219 . . . . 0.0 114.176 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -57.21 -51.0 71.1 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.081 1.353 . . . . 0.0 111.78 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 113' ' ' PHE . 48.2 t -58.51 -45.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 121.303 -0.873 . . . . 0.0 112.164 175.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -34.98 60.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -60.94 -55.4 33.41 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 121.256 -0.903 . . . . 0.0 111.579 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.22 -10.9 59.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 112.628 -165.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.46 -33.46 75.75 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.218 -0.926 . . . . 0.0 112.507 159.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.96 38.97 10.62 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 136' ' ' ASN . 2.0 tm-20 -90.05 -176.92 5.04 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.096 1.427 . . . . 0.0 113.546 -172.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.465 ' H ' ' CD ' ' A' ' 135' ' ' GLU . 48.1 m-80 -123.7 -38.46 2.51 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.458 2.703 . . . . 0.0 108.767 -164.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 148.05 23.2 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 21.9 p -101.67 -175.35 2.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 111.98 -167.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -66.62 -30.6 70.91 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -166.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.88 -42.85 69.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.337 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.13 -45.98 83.04 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.716 -1.24 . . . . 0.0 111.886 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.18 -38.06 82.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.058 1.343 . . . . 0.0 113.305 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -46.93 83.22 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.144 1.378 . . . . 0.0 111.502 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.67 -30.58 71.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.716 -1.24 . . . . 0.0 112.561 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mtt -55.58 -46.27 77.25 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 120.776 -1.203 . . . . 0.0 113.801 166.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.13 -49.55 81.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 124.606 1.162 . . . . 0.0 111.329 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -55.23 -53.24 58.55 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.474 1.11 . . . . 0.0 111.497 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -71.83 -22.5 61.54 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.658 -1.276 . . . . 0.0 113.646 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.51 -58.31 3.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.376 -1.452 . . . . 0.0 112.368 166.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -88.03 75.33 8.76 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.722 -1.236 . . . . 0.0 110.106 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -65.02 -33.47 76.11 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.78 -41.1 38.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.829 1.251 . . . . 0.0 110.674 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.53 73.31 1.1 Allowed Glycine 0 C--N 1.353 1.48 0 O-C-N 121.592 -0.692 . . . . 0.0 112.526 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -85.08 -43.87 13.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 162.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 139.91 -40.29 1.42 Allowed Glycine 0 CA--C 1.487 -1.708 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 170.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -127.44 158.78 36.43 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.92 113.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 O-C-N 120.944 -1.097 . . . . 0.0 111.281 -159.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.36 176.21 9.55 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.665 -1.272 . . . . 0.0 112.32 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -54.21 42.23 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.959 1.304 . . . . 0.0 111.705 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -43.11 -46.7 5.89 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 126.011 1.725 . . . . 0.0 114.96 163.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.409 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.5 mp0 -69.19 -39.63 78.56 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.059 -1.651 . . . . 0.0 111.69 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -61.85 -47.08 86.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.36 -0.837 . . . . 0.0 111.48 171.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.94 -48.05 76.45 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.525 1.13 . . . . 0.0 112.175 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.409 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 53.5 mtp180 -55.59 -52.61 63.19 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.933 1.293 . . . . 0.0 113.894 173.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.82 -38.95 83.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 O-C-N 121.042 -1.036 . . . . 0.0 112.679 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 94.3 mmm -68.29 -38.66 81.89 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 121.253 -0.905 . . . . 0.0 112.075 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 C--N 1.358 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 178.809 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 N--CA 1.439 -0.991 0 CA-C-O 121.544 0.688 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -52.37 -38.71 59.51 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.663 1.585 . . . . 0.0 112.737 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -36.58 -50.6 0.81 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.354 2.662 . . . . 0.0 114.656 166.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.35 -45.2 26.83 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.523 -0.736 . . . . 0.0 111.459 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.32 -36.55 58.23 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.213 -0.93 . . . . 0.0 112.849 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.91 -42.68 66.44 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.315 -1.491 . . . . 0.0 110.993 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.67 -18.74 65.53 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.364 -1.46 . . . . 0.0 113.44 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.16 -59.07 3.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.299 1.44 . . . . 0.0 111.158 166.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.26 -19.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.266 1.967 0 O-C-N 119.664 -1.897 . . . . 0.0 112.317 -169.478 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 C--O 1.234 0.255 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -34.79 72.4 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 120.981 -1.074 . . . . 0.0 109.832 172.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.11 -45.31 91.23 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.119 0.568 . . . . 0.0 112.517 169.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.78 -45.82 97.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.553 -1.342 . . . . 0.0 111.414 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.93 -45.46 90.32 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.668 -1.27 . . . . 0.0 112.279 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.63 -47.1 86.92 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.26 1.424 . . . . 0.0 112.466 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.69 73.51 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.998 2.119 . . . . 0.0 112.799 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -54.87 -46.54 74.73 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.298 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -71.31 -33.78 69.98 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.78 -35.61 81.18 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.555 -1.34 . . . . 0.0 112.288 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.69 -58.77 5.37 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 121.098 -1.001 . . . . 0.0 112.912 163.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -71.47 81.65 0.79 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 123.39 1.567 . . . . 0.0 112.609 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -47.11 -40.32 15.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 131.577 3.951 . . . . 0.0 112.819 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.4 -36.68 20.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.586 1.155 . . . . 0.0 110.84 -174.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.25 45.5 mt-10 74.19 47.17 0.15 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.958 2.103 . . . . 0.0 110.027 -172.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 t -88.94 -16.31 32.13 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.752 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.57 24.38 12.34 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 124.678 1.132 . . . . 0.0 110.529 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -153.22 143.33 22.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 122.2 1.0 . . . . 0.0 109.245 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.18 89.16 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 120.236 -1.54 . . . . 0.0 107.906 166.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -68.37 167.99 13.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 112.142 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.8 -41.5 95.76 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.672 1.589 . . . . 0.0 111.264 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -56.17 -45.48 79.69 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 111.941 170.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.89 -34.22 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.85 1.26 . . . . 0.0 110.136 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -57.67 11.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.365 1.466 . . . . 0.0 112.289 164.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HB2' HD13 ' A' ' 142' ' ' LEU . 1.5 ptmm? -71.13 -23.28 62.05 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -176.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -56.99 -58.08 9.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.211 1.804 . . . . 0.0 110.866 166.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.93 -40.48 62.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 C-N-CA 125.01 1.324 . . . . 0.0 113.045 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.27 -49.83 52.09 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.926 0.89 . . . . 0.0 112.905 170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.28 -37.13 69.1 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.429 -1.42 . . . . 0.0 113.837 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.44 -42.47 96.15 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.777 1.171 . . . . 0.0 112.258 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.86 -44.83 54.26 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.402 -0.812 . . . . 0.0 111.832 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.29 -2.23 22.28 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 121.57 -0.706 . . . . 0.0 111.398 -176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.14 97.53 1.96 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.92 1.688 . . . . 0.0 109.609 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -91.28 75.28 6.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.93 -1.731 . . . . 0.0 111.082 -173.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mp -81.47 160.27 24.01 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.525 0.73 . . . . 0.0 110.915 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.47 162.98 20.77 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.422 1.089 . . . . 0.0 109.437 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 142' ' ' LEU . 1.6 m-20 -68.2 -34.35 76.1 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.066 -1.646 . . . . 0.0 111.217 -171.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.21 -53.06 23.16 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 127.687 2.395 . . . . 0.0 113.415 165.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.75 -42.13 86.71 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 111.229 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 139' ' ' ASP . 23.1 mt -59.63 -41.02 89.52 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.654 1.182 . . . . 0.0 111.967 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -66.49 -42.49 87.35 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.714 1.205 . . . . 0.0 111.859 172.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -57.33 -40.32 77.72 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.754 -1.216 . . . . 0.0 112.938 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.6 mtm -56.47 -48.53 76.91 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.468 -1.395 . . . . 0.0 113.673 167.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.0 mm -55.84 -46.73 80.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.484 -1.385 . . . . 0.0 112.027 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -44.06 93.9 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.544 1.538 . . . . 0.0 113.715 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -53.88 -43.56 69.71 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.283 1.433 . . . . 0.0 112.486 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.95 -51.1 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -82.67 71.64 9.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.745 1.736 . . . . 0.0 109.651 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.54 -8.37 59.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.602 1.161 . . . . 0.0 112.09 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.29 -44.36 12.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.006 0.923 . . . . 0.0 109.225 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.4 47.35 0.87 Allowed Glycine 0 C--N 1.359 1.821 0 O-C-N 120.768 -1.208 . . . . 0.0 113.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.71 -54.35 4.3 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 119.18 11.24 7.6 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 125.117 1.342 . . . . 0.0 110.958 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -155.98 125.57 6.34 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -169.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.22 127.07 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 O-C-N 120.719 -1.238 . . . . 0.0 112.087 -155.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.6 p -72.73 173.25 9.33 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.956 1.302 . . . . 0.0 112.597 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -46.53 76.51 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.684 -1.26 . . . . 0.0 109.535 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.57 -32.18 64.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.807 0.843 . . . . 0.0 112.863 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -37.01 76.09 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.306 -1.496 . . . . 0.0 110.617 174.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -59.96 -51.14 70.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.427 0.691 . . . . 0.0 111.46 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.09 -42.42 80.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.68 -1.262 . . . . 0.0 113.793 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.59 -53.39 55.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.794 1.238 . . . . 0.0 112.117 171.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.303 2.4 pp -68.1 -36.28 74.77 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 119.925 1.239 . . . . 0.0 114.02 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 96.1 mmm -67.97 -34.25 76.21 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 121.151 -0.968 . . . . 0.0 111.815 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttm . . . . . 0 C--N 1.351 0.66 0 O-C-N 120.949 -1.094 . . . . 0.0 112.036 171.308 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.74 -50.62 3.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.164 1.785 . . . . 0.0 114.481 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -35.24 -53.08 0.62 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 128.378 2.671 . . . . 0.0 115.067 167.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.45 72.38 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 124.87 1.268 . . . . 0.0 111.259 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 16.4 tp -72.85 -47.43 46.22 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.159 -0.963 . . . . 0.0 111.011 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.58 -38.33 83.89 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.201 1.0 . . . . 0.0 113.555 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.95 -5.93 59.27 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 122.497 1.142 . . . . 0.0 112.377 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -86.41 -42.39 13.67 Favored 'General case' 0 N--CA 1.435 -1.205 0 O-C-N 120.177 -1.577 . . . . 0.0 109.337 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.33 -39.06 27.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.877 -1.139 . . . . 0.0 112.933 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.261 1.698 0 CA-C-O 117.628 -1.177 . . . . 0.0 109.94 -175.164 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 CA--C 1.521 -0.157 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.41 -38.85 78.1 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.335 1.054 . . . . 0.0 110.648 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.77 -47.55 79.89 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.87 0.868 . . . . 0.0 111.795 167.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -63.49 -43.86 98.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 O-C-N 121.233 -0.917 . . . . 0.0 111.907 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.82 -40.72 96.26 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.079 -1.638 . . . . 0.0 112.57 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.38 -43.02 95.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.612 -1.305 . . . . 0.0 112.278 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.34 89.42 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.686 1.194 . . . . 0.0 112.502 172.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.77 -44.99 86.55 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.5 1.12 . . . . 0.0 112.12 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -68.57 -35.42 77.36 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.13 -27.78 68.97 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.648 -1.282 . . . . 0.0 112.745 172.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -73.16 -69.6 0.41 Allowed 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.097 -1.002 . . . . 0.0 112.092 157.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.79 68.98 3.09 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.311 -1.493 . . . . 0.0 111.796 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' CG ' HH21 ' A' ' 128' ' ' ARG . 2.9 p30 -88.92 -7.28 56.37 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.728 -1.232 . . . . 0.0 111.184 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -82.81 -8.86 59.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.675 1.99 . . . . 0.0 109.941 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 58.25 50.21 10.06 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.602 1.961 . . . . 0.0 113.186 172.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.7 t -102.98 -6.44 22.39 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.352 -0.842 . . . . 0.0 110.015 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.43 13.57 75.96 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 118.828 0.74 . . . . 0.0 111.752 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -148.67 154.52 39.78 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -172.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.22 105.91 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 169.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -84.68 156.18 21.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.973 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 122.6 1.19 . . . . 0.0 109.123 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -51.9 -55.56 19.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.719 2.408 . . . . 0.0 110.493 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.26 -26.54 42.38 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 121.455 -0.778 . . . . 0.0 112.926 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -49.49 68.11 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.824 -1.798 . . . . 0.0 111.504 167.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -64.03 -39.52 94.28 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.703 1.201 . . . . 0.0 113.718 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.445 HH21 ' CG ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.623 1.169 . . . . 0.0 112.507 172.088 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.6 -46.38 79.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 126.203 1.801 . . . . 0.0 111.266 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.91 44.08 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 18.9 pttp -74.04 -31.02 62.71 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.075 -1.016 . . . . 0.0 113.134 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.401 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -72.26 -32.96 67.12 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.153 -0.967 . . . . 0.0 112.667 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.89 -38.44 76.33 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 120.537 -1.352 . . . . 0.0 109.879 164.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.09 38.28 3.62 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.38 173.7 7.77 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 123.397 1.57 . . . . 0.0 111.814 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -92.03 -75.16 0.49 Allowed 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.793 2.037 . . . . 0.0 107.509 -174.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.21 -138.6 0.99 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.76 1.624 . . . . 0.0 112.342 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.42 -158.7 0.12 Allowed 'General case' 0 CA--C 1.511 -0.556 1 N-CA-C 99.512 -4.255 . . . . 0.0 99.512 175.731 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.02 -38.57 11.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.884 2.129 . . . . 0.0 107.861 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -48.35 -50.26 31.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 129.635 3.174 . . . . 0.0 112.671 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.59 -43.23 71.97 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 113.997 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.5 -43.09 81.72 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.71 -1.244 . . . . 0.0 109.988 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -40.02 95.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.709 1.603 . . . . 0.0 112.006 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -54.11 -49.73 68.46 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.362 1.865 . . . . 0.0 112.18 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.46 -43.53 79.65 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.603 -1.31 . . . . 0.0 113.588 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.83 -52.09 64.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 120.717 -1.24 . . . . 0.0 112.261 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -35.4 80.31 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.815 1.246 . . . . 0.0 112.74 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.63 -58.41 8.46 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.854 -1.154 . . . . 0.0 111.529 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.06 35.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -166.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -74.9 72.18 2.07 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 123.982 1.849 . . . . 0.0 112.612 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -88.76 -6.47 57.39 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.132 1.373 . . . . 0.0 110.797 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.69 -43.45 97.71 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.895 1.278 . . . . 0.0 110.636 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.33 39.46 4.23 Favored Glycine 0 C--N 1.359 1.821 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -107.55 -73.96 0.67 Allowed 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.761 1.625 . . . . 0.0 109.62 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 147.34 -44.84 0.79 Allowed Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -126.12 139.93 52.98 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 122.946 1.355 . . . . 0.0 111.675 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.3 t -81.15 130.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-O 122.582 1.182 . . . . 0.0 112.808 -147.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 84.1 p -76.18 162.3 28.09 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 123.63 1.681 . . . . 0.0 115.066 -170.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.55 -50.65 72.69 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 128.236 2.614 . . . . 0.0 109.67 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -57.03 -47.3 81.22 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.774 1.23 . . . . 0.0 112.915 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.0 -28.93 55.25 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.007 1.276 . . . . 0.0 112.824 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.34 -48.62 79.0 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.23 -0.919 . . . . 0.0 111.65 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.99 -39.37 89.4 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.089 -1.007 . . . . 0.0 111.058 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -57.73 -54.67 44.31 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.067 0.947 . . . . 0.0 113.527 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.89 -36.26 74.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 120.346 1.43 . . . . 0.0 113.204 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 1.4 mmt -73.02 -33.7 65.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.118 -0.989 . . . . 0.0 111.581 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--N 1.353 0.734 0 O-C-N 120.943 -1.098 . . . . 0.0 112.807 170.507 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.633 0.73 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -67.03 -26.76 66.93 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.161 -1.587 . . . . 0.0 112.23 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -41.17 -56.13 2.45 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.75 2.42 . . . . 0.0 112.801 161.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.93 -46.19 25.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 121.339 -0.85 . . . . 0.0 111.455 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.73 -48.65 79.74 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.86 -34.11 62.21 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.869 -1.144 . . . . 0.0 111.674 -173.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.99 -22.81 63.1 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 121.326 0.584 . . . . 0.0 112.278 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -78.96 -52.67 7.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 123.937 0.895 . . . . 0.0 110.796 173.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.88 -34.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.261 1.702 0 O-C-N 120.993 -1.067 . . . . 0.0 112.995 -157.239 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -73.19 -34.88 66.23 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.331 -0.856 . . . . 0.0 111.049 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -54.13 -42.29 69.33 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.981 2.112 . . . . 0.0 113.563 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.96 -44.56 97.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 120.319 -1.488 . . . . 0.0 111.494 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -38.6 78.54 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.73 -1.231 . . . . 0.0 111.992 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -57.87 -49.62 76.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 126.407 1.883 . . . . 0.0 111.655 169.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.13 80.51 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.525 1.13 . . . . 0.0 112.336 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -51.56 -49.82 61.28 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.072 1.349 . . . . 0.0 113.149 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -69.39 -23.36 63.71 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.731 1.212 . . . . 0.0 113.962 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.28 -19.94 45.56 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.166 -1.584 . . . . 0.0 113.235 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.04 -58.84 3.03 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.36 -1.462 . . . . 0.0 108.55 162.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 118' ' ' THR . 54.2 t0 -91.57 92.14 8.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.13 -0.981 . . . . 0.0 111.811 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 54.1 m-20 -76.81 -27.9 55.37 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.918 0.487 . . . . 0.0 112.057 166.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.21 -52.21 13.1 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.23 1.012 . . . . 0.0 111.204 -162.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -103.51 -47.36 4.29 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 123.105 1.431 . . . . 0.0 107.677 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 114' ' ' ASP 0.311 18.8 p 80.48 38.69 0.09 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 127.731 2.412 . . . . 0.0 109.475 -174.276 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.3 -19.41 0.04 OUTLIER Glycine 0 C--N 1.349 1.254 0 C-N-CA 125.156 1.36 . . . . 0.0 114.123 -168.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -144.19 131.46 20.77 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.832 1.816 . . . . 0.0 111.356 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 94.3 mt -89.36 97.06 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 106.559 165.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m -100.95 -171.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -55.3 -55.79 27.45 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.245 1.418 . . . . 0.0 112.558 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -52.91 -45.98 67.83 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.34 2.256 . . . . 0.0 112.635 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -47.11 61.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 127.95 2.5 . . . . 0.0 109.429 -176.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.47 -45.0 92.88 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.279 -1.513 . . . . 0.0 112.243 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 9.6 3.68 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.409 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 73.6 mtt-85 -77.28 -59.0 2.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.32 -1.488 . . . . 0.0 108.577 160.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -34.72 68.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 121.745 0.783 . . . . 0.0 111.538 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.19 63.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 114.147 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.55 -47.17 15.97 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.96 169.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.9 -39.73 86.36 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-N 120.619 1.554 . . . . 0.0 113.095 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.54 -14.51 59.65 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.997 -1.064 . . . . 0.0 112.616 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.39 -2.68 86.59 Favored Glycine 0 C--N 1.35 1.319 0 O-C-N 121.048 -1.033 . . . . 0.0 113.533 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.79 -37.34 70.45 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 111.813 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 70.06 -67.95 0.22 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.903 1.681 . . . . 0.0 113.082 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp 66.9 157.74 0.12 Allowed 'General case' 0 C--N 1.352 0.701 0 C-N-CA 127.995 2.518 . . . . 0.0 114.211 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 75.9 p -84.0 163.7 19.78 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.62 -1.3 . . . . 0.0 111.251 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.3 -39.63 93.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.507 1.923 . . . . 0.0 111.792 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.12 -52.35 64.64 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.2 1.0 . . . . 0.0 112.383 168.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.02 -47.1 87.24 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.224 -0.922 . . . . 0.0 113.086 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.0 -44.96 79.16 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 121.174 -0.954 . . . . 0.0 112.103 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -65.81 -48.88 70.22 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.534 -0.729 . . . . 0.0 112.482 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -54.86 -42.62 72.25 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.445 1.498 . . . . 0.0 113.666 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.6 mtp -61.15 -32.9 72.61 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.44 -49.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.234 -1.541 . . . . 0.0 110.191 172.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.84 -35.42 70.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.714 1.606 . . . . 0.0 112.644 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.33 -52.2 65.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.949 1.7 . . . . 0.0 113.5 172.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.84 -32.23 40.58 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -160.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -76.51 118.53 19.27 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.276 1.036 . . . . 0.0 109.393 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.41 6.75 13.69 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.412 1.085 . . . . 0.0 108.293 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -125.61 -42.94 1.91 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -148.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 111.97 59.23 0.45 Allowed Glycine 0 C--N 1.352 1.456 0 C-N-CA 123.988 0.804 . . . . 0.0 112.266 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.34 -49.64 2.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.476 1.11 . . . . 0.0 108.04 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 116.29 -32.87 5.4 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.949 1.262 . . . . 0.0 110.035 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -125.48 179.5 5.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.39 110.37 31.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.178 -1.577 . . . . 0.0 110.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.4 p -88.59 -178.64 5.87 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.171 -1.581 . . . . 0.0 111.452 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.11 -36.74 80.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.385 -1.447 . . . . 0.0 112.713 -172.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.637 0.775 . . . . 0.0 111.723 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.51 -47.63 83.1 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.38 1.472 . . . . 0.0 110.245 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.23 -49.53 77.26 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.678 1.191 . . . . 0.0 112.336 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.1 mt -57.15 -47.16 81.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.791 -1.193 . . . . 0.0 112.687 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -55.15 -55.41 31.44 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.347 1.859 . . . . 0.0 112.716 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.4 pt -67.45 -36.83 77.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.026 -1.046 . . . . 0.0 113.212 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 72.0 mtp -69.34 -43.56 73.41 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.633 -1.292 . . . . 0.0 111.868 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.7 tttt . . . . . 0 C--N 1.355 0.817 0 O-C-N 121.01 -1.056 . . . . 0.0 112.457 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -36.29 -60.37 0.57 Allowed 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.927 2.891 . . . . 0.0 115.119 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -37.42 -43.91 0.6 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 128.827 2.851 . . . . 0.0 115.562 170.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.17 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.404 -1.435 . . . . 0.0 112.204 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.83 -53.02 6.85 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.232 1.015 . . . . 0.0 110.195 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.85 -37.49 79.14 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.858 1.263 . . . . 0.0 113.35 -170.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -97.43 14.59 25.82 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.794 1.179 . . . . 0.0 111.768 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -85.9 -55.01 4.16 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 155.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.8 -33.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.263 1.807 0 O-C-N 121.091 -1.006 . . . . 0.0 110.416 -178.122 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--O 1.232 0.154 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.81 -41.22 71.87 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.635 -0.665 . . . . 0.0 110.955 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -56.1 -48.39 76.23 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.849 0.86 . . . . 0.0 112.26 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -66.13 -39.42 84.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.111 1.364 . . . . 0.0 111.23 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -45.47 92.67 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.691 -1.255 . . . . 0.0 112.922 170.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -49.5 77.44 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.694 -1.254 . . . . 0.0 111.64 171.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.7 76.07 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.597 1.559 . . . . 0.0 112.976 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.79 -48.63 72.48 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.888 1.675 . . . . 0.0 112.278 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.83 -34.13 69.05 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.541 -1.349 . . . . 0.0 113.145 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.59 -34.35 78.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.537 -1.352 . . . . 0.0 112.763 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.83 -56.45 21.68 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.882 -1.136 . . . . 0.0 111.654 159.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -72.1 70.38 0.79 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.325 1.535 . . . . 0.0 114.905 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.26 -34.69 63.68 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.766 2.826 . . . . 0.0 109.744 170.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.68 -38.73 91.51 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 120.987 -1.071 . . . . 0.0 110.072 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.289 8.7 mt-10 74.74 57.17 0.07 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.372 1.869 . . . . 0.0 108.037 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -103.19 -19.21 14.59 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.664 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.17 -3.56 55.07 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 124.667 1.127 . . . . 0.0 111.64 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -143.5 156.68 44.69 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.528 1.131 . . . . 0.0 109.077 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.7 mt -83.14 85.82 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-O 124.502 2.096 . . . . 0.0 107.341 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 t -70.59 159.09 34.99 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 114.44 -1.255 . . . . 0.0 112.613 173.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.35 -36.09 41.37 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 125.0 1.32 . . . . 0.0 112.564 160.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -56.23 -48.88 75.61 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.961 1.704 . . . . 0.0 111.182 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -72.72 -40.56 66.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.009 1.723 . . . . 0.0 110.782 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -54.17 44.8 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 125.637 1.575 . . . . 0.0 112.377 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -24.59 59.59 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 11.3 tpt180 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.376 0.671 . . . . 0.0 110.071 162.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.59 -43.94 55.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 124.649 1.179 . . . . 0.0 113.785 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.23 64.05 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.45 -31.37 42.47 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.166 -0.959 . . . . 0.0 113.372 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 54.7 mm-40 -61.92 -36.07 80.25 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.209 1.004 . . . . 0.0 112.881 171.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.9 -46.55 35.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.959 -1.088 . . . . 0.0 110.6 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.06 9.91 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.46 141.64 28.54 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 122.502 1.144 . . . . 0.0 110.641 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.708 -1.245 . . . . 0.0 114.096 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.44 HD23 ' H ' ' A' ' 137' ' ' LEU . 1.6 pt? -91.22 144.47 25.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 122.38 1.086 . . . . 0.0 110.207 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.86 150.32 21.11 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.211 1.404 . . . . 0.0 110.017 -166.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -35.96 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.247 1.819 . . . . 0.0 115.419 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.06 -42.63 94.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.69 1.596 . . . . 0.0 112.94 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.5 -39.69 85.18 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.488 1.515 . . . . 0.0 110.338 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.63 -40.35 95.31 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.441 -1.412 . . . . 0.0 111.724 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -40.58 98.11 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.03 -1.043 . . . . 0.0 111.541 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.62 -49.33 65.31 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.085 1.354 . . . . 0.0 112.603 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.6 mtp -57.41 -39.78 76.89 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.072 -1.018 . . . . 0.0 113.368 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.87 -47.82 77.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.531 -1.356 . . . . 0.0 111.498 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.181 1.393 . . . . 0.0 111.826 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.35 -57.84 10.87 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 125.19 1.396 . . . . 0.0 112.506 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.06 -38.9 26.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -85.28 80.16 9.27 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 119.905 -1.747 . . . . 0.0 107.314 168.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 39.1 ptt85 -61.56 -26.87 68.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.654 2.382 . . . . 0.0 113.935 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 77.4 m-20 -92.01 -40.51 11.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 92.4 67.11 1.11 Allowed Glycine 0 C--N 1.357 1.698 0 O-C-N 121.739 -0.601 . . . . 0.0 113.446 164.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -154.93 -69.44 0.13 Allowed 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.969 -0.724 . . . . 0.0 111.536 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.89 10.28 74.39 Favored Glycine 0 CA--C 1.497 -1.073 0 C-N-CA 124.813 1.197 . . . . 0.0 114.287 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.544 8.2 pt-20 65.34 -175.06 0.18 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.447 1.899 . . . . 0.0 113.289 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.09 106.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 124.419 2.057 . . . . 0.0 112.019 -149.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.4 m -94.51 160.54 14.6 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.138 -1.846 . . . . 0.0 112.024 -161.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' A' ' 159' ' ' GLU . 1.1 mp0 -37.86 -65.2 0.34 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 131.047 3.739 . . . . 0.0 113.844 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.75 -16.17 61.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.785 1.234 . . . . 0.0 113.591 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -84.84 -42.79 14.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 121.173 -0.954 . . . . 0.0 110.265 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.36 -39.15 75.38 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.571 1.149 . . . . 0.0 111.267 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.42 -25.35 68.24 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.28 -58.71 5.75 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.757 1.617 . . . . 0.0 110.894 168.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.16 -28.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.832 -0.542 . . . . 0.0 111.826 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 26.2 mmt -85.6 -52.15 6.0 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp . . . . . 0 C--N 1.357 0.897 0 O-C-N 120.226 -1.546 . . . . 0.0 113.564 -168.786 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 123.521 1.629 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -62.3 -31.59 72.21 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.338 1.855 . . . . 0.0 110.939 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -40.14 -54.6 2.27 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 127.33 2.252 . . . . 0.0 113.524 163.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -83.5 -44.14 15.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 121.722 -0.611 . . . . 0.0 111.264 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.1 -47.7 70.4 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.793 -1.192 . . . . 0.0 113.482 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -72.98 -39.44 66.09 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.147 -0.971 . . . . 0.0 110.23 -172.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -76.03 -7.33 54.43 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -90.2 -48.94 6.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 123.757 0.823 . . . . 0.0 109.095 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.63 -32.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.162 -1.586 . . . . 0.0 114.81 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.995 -1.478 . . . . 0.0 111.773 -178.751 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.95 -31.82 63.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.296 -1.503 . . . . 0.0 111.375 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.37 -47.66 81.15 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.201 -0.937 . . . . 0.0 111.228 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.11 -44.95 92.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.594 1.558 . . . . 0.0 111.475 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.87 -40.24 96.91 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.317 -1.489 . . . . 0.0 113.584 172.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.31 -47.04 87.71 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.568 -1.332 . . . . 0.0 110.614 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.08 79.19 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -54.09 -46.29 72.02 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -70.48 -18.77 62.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.13 1.529 . . . . 0.0 115.13 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 -29.8 42.53 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.559 -1.963 . . . . 0.0 110.67 171.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.63 -69.1 0.53 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 123.525 0.73 . . . . 0.0 110.131 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.26 94.46 5.08 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.745 -1.222 . . . . 0.0 109.173 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -23.55 -71.73 0.02 OUTLIER 'General case' 0 C--N 1.364 1.218 0 C-N-CA 128.554 2.742 . . . . 0.0 113.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.89 46.79 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 154.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.84 -38.54 11.69 Favored 'General case' 0 C--N 1.36 1.046 0 O-C-N 121.511 -0.743 . . . . 0.0 112.276 -166.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -33.97 4.64 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 171.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.55 14.24 66.11 Favored Glycine 0 C--N 1.356 1.69 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -140.32 132.66 28.34 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 80.4 mt -73.94 108.09 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 O-C-N 119.674 -1.891 . . . . 0.0 110.42 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t -86.99 168.9 12.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.656 1.582 . . . . 0.0 111.774 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -57.5 -49.04 77.62 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.696 1.598 . . . . 0.0 110.826 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -56.19 -41.8 76.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.736 1.614 . . . . 0.0 112.616 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -88.41 -26.7 22.01 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.675 0.79 . . . . 0.0 111.846 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.89 -36.93 84.96 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.649 -1.907 . . . . 0.0 111.645 160.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -69.6 -18.03 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 119.198 -2.189 . . . . 0.0 114.275 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -64.37 -48.82 74.02 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.222 -1.549 . . . . 0.0 112.263 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.511 HG23 HD23 ' B' ' 651' ' ' LEU . 2.1 p -60.82 -37.76 77.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.887 1.221 . . . . 0.0 111.838 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.92 -42.81 65.75 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 168.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -82.19 -24.52 34.9 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.04 -1.663 . . . . 0.0 113.877 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -57.02 -45.91 82.73 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 127.012 2.125 . . . . 0.0 110.775 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.31 -41.98 55.64 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.71 1.204 . . . . 0.0 111.637 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.64 37.63 2.75 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 121.244 -0.91 . . . . 0.0 111.02 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -93.16 -158.46 0.61 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.546 1.165 . . . . 0.0 110.685 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -125.7 -81.4 0.62 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.175 -1.578 . . . . 0.0 107.621 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.5 mp 72.01 146.24 0.07 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.809 2.044 . . . . 0.0 113.759 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.2 p -92.18 172.69 8.26 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.784 -1.197 . . . . 0.0 108.256 167.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -68.99 -33.52 73.81 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.133 1.773 . . . . 0.0 110.77 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.42 -59.03 2.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 129.185 2.994 . . . . 0.0 112.375 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -54.72 -54.54 40.51 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.308 1.843 . . . . 0.0 112.412 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.18 -46.12 91.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 121.011 -1.055 . . . . 0.0 111.677 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.45 -53.12 59.5 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.356 -0.84 . . . . 0.0 112.345 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.78 -36.13 82.89 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.742 -1.224 . . . . 0.0 112.701 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.4 mtm -57.79 -46.13 85.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 169.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.3 -54.66 30.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 O-C-N 121.405 -0.809 . . . . 0.0 111.693 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -58.17 -33.0 68.75 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.946 1.298 . . . . 0.0 113.46 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.1 -22.7 41.89 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.599 -1.313 . . . . 0.0 112.539 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.2 -70.72 0.35 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.1 105.93 16.19 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.341 1.428 . . . . 0.0 112.191 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -70.73 -47.73 58.19 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -155.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.56 46.45 2.64 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -98.33 -108.77 2.79 Favored Glycine 0 C--N 1.358 1.801 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -163.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -142.17 -47.32 0.35 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 122.293 -0.533 . . . . 0.0 109.837 -155.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.79 -37.35 2.61 Favored Glycine 0 CA--C 1.493 -1.314 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 -166.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.76 146.82 34.31 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 123.187 1.47 . . . . 0.0 108.846 167.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.4 t -92.58 108.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 120.727 -1.233 . . . . 0.0 111.444 -161.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 p -70.99 176.17 4.57 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.25 -1.531 . . . . 0.0 113.374 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.31 69.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.963 1.705 . . . . 0.0 112.206 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -57.35 -49.8 75.01 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 125.208 1.403 . . . . 0.0 112.773 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.46 -29.64 52.89 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.103 0.561 . . . . 0.0 111.233 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -58.14 -50.09 74.71 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.551 1.141 . . . . 0.0 111.173 163.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.73 -39.54 89.02 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.874 -1.141 . . . . 0.0 113.259 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -60.49 -50.51 73.26 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.349 -1.469 . . . . 0.0 112.001 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.429 -0.794 . . . . 0.0 112.347 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 23.7 mmt -73.46 -30.84 63.44 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.373 -1.454 . . . . 0.0 112.597 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp . . . . . 0 C--N 1.354 0.764 0 O-C-N 120.541 -1.349 . . . . 0.0 113.287 175.58 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 651' ' ' LEU . . . . . 0.511 HD23 HG23 ' A' ' 129' ' ' VAL . 14.7 tp . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.1 -26.89 68.41 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 125.057 1.343 . . . . 0.0 110.604 169.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -56.8 -41.05 77.04 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.922 -1.111 . . . . 0.0 112.349 167.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.17 -54.5 8.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.096 -1.002 . . . . 0.0 110.632 173.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.56 -43.68 98.42 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.11 -38.16 72.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.621 -1.299 . . . . 0.0 111.18 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.28 -18.57 63.12 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.093 0.861 . . . . 0.0 113.11 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -71.11 -51.99 21.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.229 1.011 . . . . 0.0 109.527 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.6 p -83.46 -36.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.715 -173.762 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 mptt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.09 -30.66 60.97 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.346 -1.471 . . . . 0.0 110.774 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -59.67 -43.5 93.96 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 123.967 0.907 . . . . 0.0 111.577 170.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.55 -47.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 112.213 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.49 -1.381 . . . . 0.0 112.632 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -53.75 51.1 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.342 1.457 . . . . 0.0 111.54 170.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.26 73.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.43 1.892 . . . . 0.0 113.798 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.34 -43.86 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.693 1.197 . . . . 0.0 112.143 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -18.81 54.98 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 176.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -75.2 -39.12 60.42 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.779 -1.826 . . . . 0.0 110.053 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.466 ' HA ' HG21 ' A' ' 129' ' ' VAL . 34.7 m-85 -61.97 -65.86 0.63 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.412 1.085 . . . . 0.0 112.476 167.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -85.31 80.25 9.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.581 1.181 . . . . 0.0 109.444 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.427 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 21.6 t70 -96.36 18.42 13.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.188 1.47 . . . . 0.0 109.685 174.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.01 3.66 30.83 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.044 1.338 . . . . 0.0 108.371 172.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 55.73 44.51 26.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.565 1.946 . . . . 0.0 115.066 169.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.1 t -111.84 -25.54 9.4 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 110.676 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 110.76 -2.06 28.92 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 121.577 -0.702 . . . . 0.0 113.186 168.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -139.06 149.8 45.01 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 103.0 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.808 -1.183 . . . . 0.0 108.758 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -68.92 161.15 29.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.652 0.739 . . . . 0.0 111.513 170.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -53.04 -46.15 68.34 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.899 1.28 . . . . 0.0 111.992 171.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -54.83 -41.77 71.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.053 1.341 . . . . 0.0 113.309 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.91 -34.61 33.33 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.893 1.277 . . . . 0.0 108.348 -170.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.94 -53.81 54.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.541 1.136 . . . . 0.0 111.684 166.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.299 32.9 pttt -72.58 -20.85 61.23 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.427 ' NH2' ' OD2' ' A' ' 115' ' ' ASP . 76.1 ttt180 -54.33 -51.98 63.0 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 110.99 163.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 113' ' ' PHE . 44.0 t -55.51 -46.94 79.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.152 -0.968 . . . . 0.0 112.331 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.45 69.46 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -75.62 -22.38 56.9 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.318 -1.489 . . . . 0.0 113.214 176.342 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.403 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -72.63 -39.7 67.03 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.693 1.197 . . . . 0.0 112.226 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.63 -46.03 64.07 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.932 -1.105 . . . . 0.0 110.857 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.63 68.51 0.66 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -72.85 174.78 7.24 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.98 60.92 0.85 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 159.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.426 2.6 pt? -112.13 -53.65 2.69 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.053 171.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 139' ' ' ASP 0.313 1.2 m 106.96 160.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.971 2.908 . . . . 0.0 110.888 177.773 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.584 ' H ' HG22 ' A' ' 138' ' ' THR . 0.8 OUTLIER -48.75 -39.68 25.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 129.346 3.058 . . . . 0.0 116.793 -177.39 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.89 -46.32 53.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.577 1.179 . . . . 0.0 110.916 -168.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.2 pm0 -71.75 -29.32 64.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.429 -1.419 . . . . 0.0 111.73 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.39 -37.13 86.43 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.357 -2.089 . . . . 0.0 113.25 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -64.31 -38.59 91.59 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.422 -1.424 . . . . 0.0 110.88 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -54.43 -43.64 71.76 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.384 -0.822 . . . . 0.0 112.887 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mtp -57.11 -41.83 79.73 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.82 -1.175 . . . . 0.0 113.455 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.79 -50.14 80.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.481 -1.387 . . . . 0.0 111.96 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -39.49 92.87 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 112.504 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.01 -55.11 38.08 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.735 1.614 . . . . 0.0 112.091 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.44 50.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -82.89 67.04 8.8 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.303 -1.498 . . . . 0.0 109.728 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.402 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 9.8 mtp-105 -53.83 -49.46 68.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.355 2.262 . . . . 0.0 114.065 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.402 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 62.1 m-20 -94.09 -19.97 20.34 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.085 0.554 . . . . 0.0 110.628 -168.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.07 63.55 0.99 Allowed Glycine 0 C--N 1.358 1.773 0 O-C-N 121.242 -0.911 . . . . 0.0 111.605 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.13 -38.26 36.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.392 1.877 . . . . 0.0 108.27 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 134.85 -37.29 1.96 Allowed Glycine 0 C--N 1.356 1.678 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -148.42 173.12 13.42 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.68 110.71 18.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-O 123.268 1.509 . . . . 0.0 109.209 -172.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.1 p -100.98 177.31 4.99 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -151.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.87 -51.5 63.45 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 127.818 2.447 . . . . 0.0 110.734 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.37 -49.99 67.23 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.142 0.977 . . . . 0.0 112.285 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.89 -32.06 61.74 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 120.295 -1.503 . . . . 0.0 112.753 -169.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.97 -44.22 96.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.603 -0.685 . . . . 0.0 110.943 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.41 -28.62 68.07 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.846 -1.159 . . . . 0.0 113.773 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -62.24 -63.25 1.3 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.194 1.361 . . . . 0.0 111.177 165.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.15 -22.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 120.525 -1.359 . . . . 0.0 113.474 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.8 mmt -100.62 10.78 40.72 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.473 1.109 . . . . 0.0 113.411 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . 0.281 0.2 OUTLIER . . . . . 0 C--N 1.362 1.152 0 O-C-N 119.916 -1.74 . . . . 0.0 109.2 168.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.231 0.126 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -59.89 -41.4 91.55 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.349 -1.469 . . . . 0.0 110.467 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -30.03 -59.62 0.17 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 130.109 3.364 . . . . 0.0 114.896 156.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.43 -36.99 52.62 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.334 1.054 . . . . 0.0 111.172 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.63 -46.84 88.78 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.626 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -70.85 -37.86 73.15 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.206 -0.934 . . . . 0.0 112.863 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.17 -15.53 62.53 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.224 -1.547 . . . . 0.0 113.745 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -85.56 -63.84 1.26 Allowed 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 124.888 1.275 . . . . 0.0 109.944 163.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.93 -17.47 8.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -162.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.26 1.647 0 O-C-N 120.739 -1.226 . . . . 0.0 109.966 -177.002 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.1 tptt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.38 -57.74 10.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.701 1.201 . . . . 0.0 110.715 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -59.5 -39.64 84.44 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -67.19 -43.58 88.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 O-C-N 120.468 -1.395 . . . . 0.0 111.515 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.66 -42.77 98.05 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.301 -1.499 . . . . 0.0 111.733 173.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -57.49 -49.22 76.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.235 1.414 . . . . 0.0 111.828 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.97 84.54 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 121.071 -1.018 . . . . 0.0 112.859 171.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.49 -48.13 77.81 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.353 1.061 . . . . 0.0 112.872 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.9 -27.76 61.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.714 -1.241 . . . . 0.0 113.195 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.165 -1.584 . . . . 0.0 111.982 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.405 ' CD2' HG11 ' A' ' 129' ' ' VAL . 5.0 m-85 -64.8 -58.14 7.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.154 -0.966 . . . . 0.0 111.246 162.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -74.29 54.04 0.54 Allowed 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.663 1.585 . . . . 0.0 112.058 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -54.81 -34.87 63.27 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.667 3.187 . . . . 0.0 110.42 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -81.06 -8.75 59.84 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 53.0 55.67 8.61 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.689 2.395 . . . . 0.0 114.044 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 t -111.38 -9.45 14.25 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.55 -20.03 52.04 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 120.389 -1.444 . . . . 0.0 113.465 167.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -138.91 135.43 34.43 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.0 mt -75.83 97.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 120.613 -1.304 . . . . 0.0 108.453 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m -67.23 167.48 12.15 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.055 1.742 . . . . 0.0 112.959 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.95 -50.18 67.04 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.954 1.302 . . . . 0.0 112.673 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -64.72 -36.83 85.55 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 121.052 -1.03 . . . . 0.0 112.526 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.69 -40.86 72.65 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 123.66 0.784 . . . . 0.0 110.394 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.34 -44.34 88.7 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.681 -1.262 . . . . 0.0 112.021 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -28.25 62.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.807 -1.183 . . . . 0.0 113.265 176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -56.84 -59.67 4.7 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.529 -1.357 . . . . 0.0 112.107 165.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.405 HG11 ' CD2' ' A' ' 113' ' ' PHE . 8.6 p -58.36 -39.15 73.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 120.443 -1.41 . . . . 0.0 112.38 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.59 75.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.72 -54.08 50.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.61 -1.306 . . . . 0.0 111.929 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -32.1 64.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 121.012 0.434 . . . . 0.0 111.615 -166.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.01 -48.06 63.97 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.065 1.346 . . . . 0.0 110.665 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.69 68.72 0.44 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -77.86 -167.61 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -175.21 37.77 0.01 OUTLIER 'General case' 0 C--N 1.351 0.67 0 C-N-CA 125.956 1.703 . . . . 0.0 108.079 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.5 -132.18 0.29 Allowed 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 53.9 m -166.12 160.48 16.33 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.18 -34.67 23.41 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 128.215 2.606 . . . . 0.0 114.758 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.46 -56.71 18.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.752 2.021 . . . . 0.0 111.958 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -53.43 -47.61 69.48 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.85 1.66 . . . . 0.0 112.763 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.65 -37.58 82.0 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.61 -1.307 . . . . 0.0 113.0 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.37 -39.32 85.68 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.396 -1.44 . . . . 0.0 112.014 172.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -66.66 -39.61 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.023 -1.048 . . . . 0.0 111.798 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.6 mtp -57.46 -46.77 83.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.826 -1.171 . . . . 0.0 113.176 167.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.8 mm -57.07 -48.26 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 O-C-N 120.146 -1.596 . . . . 0.0 112.389 170.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.412 ' OD1' ' NH2' ' A' ' 151' ' ' ARG . 8.3 t70 -57.03 -49.44 75.82 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.954 1.252 . . . . 0.0 111.492 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -38.4 -47.51 1.25 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.095 1.758 . . . . 0.0 113.482 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.11 -63.84 1.32 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 166.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -89.95 95.44 10.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.85 2.06 . . . . 0.0 110.385 -166.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.412 ' NH2' ' OD1' ' A' ' 147' ' ' ASP . 13.1 mmp_? -61.21 -49.42 77.22 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.051 1.74 . . . . 0.0 112.411 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.5 -44.83 93.01 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 127.429 2.291 . . . . 0.0 110.735 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.3 -21.52 37.17 Favored Glycine 0 C--N 1.357 1.704 0 O-C-N 121.466 -0.771 . . . . 0.0 112.311 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -96.75 -53.52 3.52 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 125.973 1.709 . . . . 0.0 109.983 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -80.25 52.03 4.24 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.189 1.376 . . . . 0.0 115.64 -167.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -9.45 171.95 0.0 OUTLIER 'General case' 0 C--N 1.352 0.713 1 C-N-CA 135.803 5.641 . . . . 0.0 121.483 174.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.8 t -92.4 103.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 O-C-N 117.059 -3.526 . . . . 0.0 113.537 -153.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 91.5 p -86.03 -178.83 6.64 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.671 -1.893 . . . . 0.0 111.322 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -63.97 -30.44 71.52 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -70.59 -41.39 72.41 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.862 -1.149 . . . . 0.0 111.925 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -66.34 -40.5 89.9 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.016 -1.053 . . . . 0.0 109.904 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.71 -52.25 66.31 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.089 1.755 . . . . 0.0 111.576 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.99 -47.54 64.86 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.564 -1.335 . . . . 0.0 112.436 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.71 -54.45 44.13 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 124.111 0.964 . . . . 0.0 113.26 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.44 -17.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 90.8 mmm -73.72 -45.93 49.16 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.586 -1.321 . . . . 0.0 110.619 167.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 C--N 1.352 0.706 0 O-C-N 121.257 -0.902 . . . . 0.0 112.708 178.708 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.42 -36.19 73.22 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 125.526 1.53 . . . . 0.0 110.039 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -11.63 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 130.637 3.575 . . . . 0.0 115.396 152.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -90.32 -35.46 15.24 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.131 -174.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.8 -35.21 78.23 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.074 -1.016 . . . . 0.0 111.944 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -41.35 66.18 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 120.98 -1.075 . . . . 0.0 111.134 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.09 62.78 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.11 -1.618 . . . . 0.0 112.821 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.86 -60.82 2.04 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 124.014 0.926 . . . . 0.0 110.382 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.84 -36.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.256 1.419 0 O-C-N 120.792 -1.192 . . . . 0.0 113.704 -162.027 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.25 -38.57 78.51 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.848 -1.157 . . . . 0.0 112.145 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH2' ' B' ' 653' ' ' ARG . 7.9 tt0 -68.5 -35.29 77.3 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.486 -1.384 . . . . 0.0 111.577 172.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.7 -52.49 56.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 O-C-N 120.536 -1.352 . . . . 0.0 111.38 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.9 mt -57.34 -45.04 84.7 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.434 -1.416 . . . . 0.0 113.612 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -59.98 -45.11 93.77 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.919 -1.113 . . . . 0.0 112.317 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.3 91.03 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.904 1.282 . . . . 0.0 112.047 173.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.82 -45.58 74.44 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 121.083 -1.011 . . . . 0.0 112.096 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -68.53 -27.1 65.8 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.8 mt -69.79 -28.17 65.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.426 -1.421 . . . . 0.0 113.059 171.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -85.12 -46.08 11.46 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.438 -0.789 . . . . 0.0 110.797 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -89.88 71.95 7.55 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.732 -1.855 . . . . 0.0 111.335 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -40.41 86.64 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.894 1.678 . . . . 0.0 111.835 170.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.418 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 55.2 m-20 -80.1 -10.76 59.78 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.468 1.107 . . . . 0.0 111.221 -164.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 68.87 47.22 0.81 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.697 1.599 . . . . 0.0 111.9 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -97.99 -12.47 21.92 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.437 -0.789 . . . . 0.0 110.86 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.91 13.51 74.75 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 120.965 -1.085 . . . . 0.0 112.217 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -136.94 150.69 48.34 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 82.1 mt -101.07 100.67 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 160.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -81.55 179.39 7.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.249 1.023 . . . . 0.0 111.417 169.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -60.47 -36.14 77.55 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.546 -1.346 . . . . 0.0 111.372 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.15 -43.4 98.95 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.42 -1.425 . . . . 0.0 111.144 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -68.97 -38.66 79.5 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 111.786 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -57.58 -50.31 73.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.96 0.904 . . . . 0.0 111.286 167.705 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 ttmm -59.97 -39.52 85.93 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.871 -1.143 . . . . 0.0 113.961 174.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.418 ' NH2' ' OD2' ' A' ' 116' ' ' ASP . 28.7 mmt85 -49.62 -53.69 22.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.436 1.471 . . . . 0.0 112.647 173.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.14 -39.6 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 111.375 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -58.45 -37.24 75.04 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -17.51 49.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.008 1.276 . . . . 0.0 114.109 174.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -77.07 -34.18 57.04 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.545 -1.347 . . . . 0.0 110.781 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.22 -49.03 38.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.348 -0.845 . . . . 0.0 110.023 165.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.68 104.39 2.82 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.93 113.16 2.64 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -108.89 14.88 23.9 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -132.41 153.55 50.7 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 m -80.26 156.63 26.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.946 0.879 . . . . 0.0 111.008 -172.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.37 -33.53 63.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.513 2.325 . . . . 0.0 113.683 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.87 -39.31 58.75 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.101 2.16 . . . . 0.0 113.424 168.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -75.25 -40.81 58.54 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.854 -1.154 . . . . 0.0 110.456 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 126' ' ' LEU . 1.1 mm? -61.68 -40.57 95.45 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 120.722 -1.236 . . . . 0.0 111.589 172.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.36 -47.81 84.45 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.933 1.293 . . . . 0.0 112.636 170.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -56.44 -43.64 79.66 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.366 1.466 . . . . 0.0 112.492 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.7 mtp -54.84 -44.14 73.68 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.682 -1.261 . . . . 0.0 113.897 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.5 mm -62.79 -49.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.998 -1.064 . . . . 0.0 111.646 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.64 -43.1 97.78 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.187 0.995 . . . . 0.0 112.581 -174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -26.71 63.07 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.465 -1.397 . . . . 0.0 112.185 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.48 -59.67 3.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.8 -2.438 . . . . 0.0 113.214 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -69.49 97.44 1.0 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-O 123.384 1.564 . . . . 0.0 113.445 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -37.64 14.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 126.761 2.025 . . . . 0.0 107.71 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 -43.52 95.58 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.471 1.508 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.04 67.07 0.93 Allowed Glycine 0 C--N 1.353 1.509 0 O-C-N 121.421 -0.799 . . . . 0.0 112.171 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -105.43 -52.28 2.86 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.449 1.5 . . . . 0.0 107.527 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.71 -41.99 1.54 Allowed Glycine 0 CA--C 1.495 -1.188 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -115.13 158.74 21.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 122.658 1.218 . . . . 0.0 108.085 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.11 113.07 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 O-C-N 120.205 -1.559 . . . . 0.0 109.575 -167.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.2 p -84.85 163.46 19.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.342 1.057 . . . . 0.0 111.085 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 0.2 OUTLIER -68.49 -30.04 68.78 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.197 -1.564 . . . . 0.0 113.407 -169.472 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -59.09 -33.75 71.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.144 1.778 . . . . 0.0 113.869 170.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.72 -48.05 12.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.486 1.114 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -51.08 -49.41 60.72 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 125.898 1.679 . . . . 0.0 112.267 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -65.59 -48.93 70.67 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 120.575 -1.328 . . . . 0.0 112.496 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -70.11 -28.91 37.78 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 121.588 -0.695 . . . . 0.0 111.219 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 20.6 mmt -69.97 -47.47 62.14 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.491 -0.756 . . . . 0.0 112.168 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.358 0.973 0 C-N-CA 125.011 1.324 . . . . 0.0 113.136 177.106 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.513 -0.445 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -75.51 -6.85 52.27 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.824 -1.172 . . . . 0.0 112.668 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH2' ' OE1' ' A' ' 105' ' ' GLU . 12.1 mmt180 -56.29 -57.99 9.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.812 2.045 . . . . 0.0 110.73 161.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.76 -43.3 59.41 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.356 1.462 . . . . 0.0 110.698 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.79 -36.28 83.08 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 113.092 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -71.95 -41.22 68.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.654 -1.278 . . . . 0.0 112.253 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.78 -24.5 66.2 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.427 -0.796 . . . . 0.0 111.594 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -106.04 29.68 6.51 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 124.485 1.114 . . . . 0.0 111.454 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . 0.32 52.6 t 136.58 -51.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 128.43 2.692 . . . . 0.0 111.901 154.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.265 1.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -150.226 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -82.19 -34.2 29.11 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.627 -1.296 . . . . 0.0 110.847 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH1' ' B' ' 653' ' ' ARG . 13.8 tp10 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.068 1.747 . . . . 0.0 111.736 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.93 -39.51 84.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 O-C-N 121.12 -0.987 . . . . 0.0 111.553 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.45 -44.71 92.9 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.396 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -58.79 -56.74 18.28 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.358 -0.839 . . . . 0.0 111.92 168.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.73 82.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.67 -39.98 88.39 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.635 -1.291 . . . . 0.0 109.996 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -33.38 74.5 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.88 -41.06 83.36 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.037 -1.039 . . . . 0.0 112.867 170.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.52 -51.0 13.98 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.853 -1.155 . . . . 0.0 113.173 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.14 99.09 6.82 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.932 -1.105 . . . . 0.0 110.504 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -68.61 -50.92 47.78 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.004 2.121 . . . . 0.0 112.287 -166.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -87.65 -4.55 58.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.62 1.568 . . . . 0.0 110.836 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.353 15.8 pt-20 49.43 57.44 6.5 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.321 2.648 . . . . 0.0 114.978 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -83.46 -14.13 53.19 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.302 -0.874 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.62 28.2 8.07 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -149.21 126.1 11.2 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.04 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.924 -1.735 . . . . 0.0 107.187 164.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.1 p -79.08 167.06 21.59 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.227 1.011 . . . . 0.0 111.575 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.03 -39.81 79.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.031 0.932 . . . . 0.0 111.35 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.87 1.268 . . . . 0.0 111.553 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -75.21 -30.31 60.57 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 121.562 0.696 . . . . 0.0 110.76 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -52.54 65.33 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.344 -1.472 . . . . 0.0 112.242 164.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.46 -35.61 76.29 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 119.918 -1.739 . . . . 0.0 113.059 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -56.09 26.28 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.88 1.272 . . . . 0.0 111.542 168.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.53 -34.35 69.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.247 -1.533 . . . . 0.0 112.692 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.16 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 120.569 -1.332 . . . . 0.0 113.39 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.83 -30.09 67.52 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.312 -1.493 . . . . 0.0 113.443 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.06 -38.61 82.64 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.196 0.907 . . . . 0.0 112.24 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -42.71 81.78 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.774 -1.204 . . . . 0.0 111.077 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.08 58.63 0.78 Allowed Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 153.38 43.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.06 63.14 1.6 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 168.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.81 -126.14 0.16 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.3 m -145.4 -108.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 101.546 -3.502 . . . . 0.0 101.546 156.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -132.59 -30.88 1.41 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 121.223 1.829 . . . . 0.0 111.394 167.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -52.03 -45.92 64.81 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 128.574 2.75 . . . . 0.0 112.601 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -54.2 -51.32 64.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.205 1.802 . . . . 0.0 113.551 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.2 -21.55 42.83 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 119.936 -1.727 . . . . 0.0 111.998 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -42.28 81.39 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.651 -1.28 . . . . 0.0 110.909 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.71 -47.31 77.07 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 111.04 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 98.7 mtp -50.53 -49.78 54.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 170.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.53 -54.68 28.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 124.304 1.041 . . . . 0.0 112.535 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.33 -36.28 82.5 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.783 0.833 . . . . 0.0 112.691 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.88 -40.38 91.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.833 -1.167 . . . . 0.0 110.809 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.77 20.89 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 120.755 -1.216 . . . . 0.0 112.866 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.64 45.87 0.42 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-O 123.572 1.653 . . . . 0.0 111.816 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 32.8 ttm105 -61.42 -32.31 72.27 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.641 1.976 . . . . 0.0 112.684 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -128.07 14.03 6.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.253 1.021 . . . . 0.0 110.497 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.8 -124.56 5.36 Favored Glycine 0 C--N 1.361 1.921 0 N-CA-C 117.43 1.732 . . . . 0.0 117.43 -155.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.21 42.78 0.94 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-O 122.169 0.985 . . . . 0.0 109.965 -165.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.62 -38.7 2.49 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 119.294 -2.128 . . . . 0.0 112.832 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -125.62 142.38 51.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 127.105 2.162 . . . . 0.0 106.379 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 126.82 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-O 122.036 0.922 . . . . 0.0 111.52 -155.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 p -76.34 168.66 19.66 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.808 1.243 . . . . 0.0 111.998 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.82 -39.46 94.27 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.03 -1.044 . . . . 0.0 113.256 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.83 -38.99 80.22 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.779 -1.201 . . . . 0.0 111.263 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.76 -39.37 80.29 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.623 -1.298 . . . . 0.0 110.271 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.5 -49.72 76.7 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.385 1.074 . . . . 0.0 112.148 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.59 -50.58 53.48 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.573 1.149 . . . . 0.0 113.478 170.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -55.78 -50.33 70.75 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.042 0.937 . . . . 0.0 113.457 176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.428 HD13 ' CG ' ' B' ' 658' ' ' TRP 0.295 2.0 pp -74.02 -29.21 24.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 178.812 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.93 66.53 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.679 -1.263 . . . . 0.0 111.744 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.554 169.719 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 122.666 1.222 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -63.71 -26.97 68.89 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.822 1.649 . . . . 0.0 112.399 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' A' ' 105' ' ' GLU . 92.5 mtt180 -42.55 -59.95 1.71 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.652 1.581 . . . . 0.0 112.659 165.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.69 83.76 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 124.795 1.238 . . . . 0.0 111.781 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.23 -48.66 41.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.622 -0.674 . . . . 0.0 112.291 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.37 -44.64 71.12 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.796 -1.19 . . . . 0.0 111.679 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -87.27 5.82 36.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.253 -0.904 . . . . 0.0 111.659 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 658' ' ' TRP . . . . . 0.428 ' CG ' HD13 ' A' ' 165' ' ' ILE . 1.2 t90 -78.03 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.633 -1.292 . . . . 0.0 107.643 156.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.05 -46.39 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -169.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.26 1.646 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -171.025 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 CA--C 1.509 -0.632 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.3 -36.7 71.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 170.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -67.02 -40.6 87.27 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 117.818 -3.051 . . . . 0.0 112.46 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.84 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 120.913 -1.117 . . . . 0.0 110.832 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.29 -40.98 92.38 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.222 1.809 . . . . 0.0 113.142 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -62.34 -43.24 99.3 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.216 1.807 . . . . 0.0 112.732 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.71 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.402 -0.811 . . . . 0.0 111.71 169.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -55.78 -43.29 76.62 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.479 1.512 . . . . 0.0 113.136 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -55.92 -38.14 69.87 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.753 2.421 . . . . 0.0 114.025 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.211 1.004 . . . . 0.0 111.577 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -66.9 -52.92 37.47 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.376 -0.827 . . . . 0.0 112.543 167.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.08 54.77 0.55 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.446 1.498 . . . . 0.0 114.398 -173.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 47.4 t0 -41.12 -45.49 2.76 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 131.157 3.783 . . . . 0.0 113.888 172.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -89.56 -4.39 57.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.125 1.37 . . . . 0.0 111.941 -166.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 61.49 62.84 1.26 Allowed 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.745 1.618 . . . . 0.0 112.179 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -129.7 -17.88 3.56 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.552 0.741 . . . . 0.0 112.363 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.58 28.44 43.32 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 119.521 1.055 . . . . 0.0 113.147 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -156.62 122.45 4.86 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 55.1 mt -80.0 95.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 O-C-N 120.234 -1.541 . . . . 0.0 108.955 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 p -78.44 176.27 9.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.958 1.361 . . . . 0.0 111.67 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -51.62 -46.51 63.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.45 1.9 . . . . 0.0 112.693 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.56 -50.15 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.824 1.25 . . . . 0.0 111.524 175.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -59.49 -41.97 91.04 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.801 1.64 . . . . 0.0 112.016 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -46.75 82.66 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.985 0.914 . . . . 0.0 113.207 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -19.56 57.11 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.559 -1.338 . . . . 0.0 114.195 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.447 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 3.5 tmt_? -59.07 -52.42 65.83 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 126.46 1.904 . . . . 0.0 110.3 166.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.1 -44.47 91.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.048 1.339 . . . . 0.0 112.072 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.88 69.32 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.97 -24.6 59.64 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 96.5 mt-10 -66.85 -42.75 85.21 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.279 -0.888 . . . . 0.0 112.147 172.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.2 -43.08 68.09 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.239 -0.913 . . . . 0.0 110.696 170.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.04 38.84 4.48 Favored Glycine 0 CA--C 1.494 -1.271 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -175.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.15 159.06 16.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 122.421 1.105 . . . . 0.0 112.417 -171.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.95 82.01 5.13 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.264 -0.897 . . . . 0.0 111.966 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pt? -153.28 159.68 42.59 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 121.192 -0.943 . . . . 0.0 113.082 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.2 m -118.54 -110.1 0.35 Allowed 'General case' 0 C--N 1.353 0.761 0 C-N-CA 126.985 2.114 . . . . 0.0 110.74 -149.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -111.49 -54.15 2.64 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 119.917 -1.739 . . . . 0.0 106.688 163.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -42.8 -53.17 4.73 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 130.699 3.6 . . . . 0.0 114.443 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -73.71 -33.1 64.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.703 1.601 . . . . 0.0 110.66 -172.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.56 -43.82 72.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.752 1.221 . . . . 0.0 109.241 172.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.07 -44.33 96.91 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.289 1.436 . . . . 0.0 111.553 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -54.26 -52.65 60.72 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.055 1.742 . . . . 0.0 111.899 169.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 mtm -55.03 -44.99 75.16 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.638 -1.289 . . . . 0.0 114.235 174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.67 -47.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 121.37 -0.832 . . . . 0.0 112.636 174.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.06 -25.66 59.95 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.054 -1.029 . . . . 0.0 113.069 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -64.4 -50.41 67.73 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.543 -1.348 . . . . 0.0 109.664 164.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.85 -54.26 16.74 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -79.9 94.47 5.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.971 -1.081 . . . . 0.0 112.536 -164.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -85.09 -23.21 28.6 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 120.52 -1.362 . . . . 0.0 111.792 -169.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.61 -40.28 61.64 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.875 1.27 . . . . 0.0 109.474 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.31 43.29 2.39 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 120.74 -1.225 . . . . 0.0 111.024 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -85.6 -52.95 5.47 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.973 1.309 . . . . 0.0 107.844 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.46 17.29 7.16 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 125.648 1.594 . . . . 0.0 109.757 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.9 119.56 0.16 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 123.68 1.705 . . . . 0.0 108.119 -162.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.16 116.68 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.255 -148.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.4 p -76.75 168.45 20.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 124.588 1.155 . . . . 0.0 112.796 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -43.18 89.4 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.166 -1.583 . . . . 0.0 113.209 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -59.21 -37.45 77.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.042 1.337 . . . . 0.0 114.036 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.483 1.113 . . . . 0.0 110.178 175.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -52.2 -46.42 65.58 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.046 1.738 . . . . 0.0 112.393 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.4 mt -58.44 -36.99 74.49 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -69.15 -49.94 52.25 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.285 -1.509 . . . . 0.0 110.96 174.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -76.38 -12.92 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 113.001 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 15.2 mmt -74.65 -39.93 61.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 120.543 -1.348 . . . . 0.0 112.192 167.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.357 0.921 0 O-C-N 119.937 -1.727 . . . . 0.0 112.272 171.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.979 0.895 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -65.82 -32.28 73.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 125.399 1.479 . . . . 0.0 110.076 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -50.34 -55.86 13.75 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.602 1.961 . . . . 0.0 112.301 162.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.76 84.8 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.453 -1.404 . . . . 0.0 112.251 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.0 -49.88 72.92 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.096 -1.003 . . . . 0.0 112.524 175.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.55 -13.7 59.85 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 120.786 -1.196 . . . . 0.0 112.613 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -73.06 -22.73 60.56 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 122.315 2.325 . . . . 0.0 111.707 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -77.87 -49.28 14.55 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.936 0.894 . . . . 0.0 110.109 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 7.0 p -100.12 -23.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.092 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -78.3 136.28 37.7 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.219 0.918 . . . . 0.0 111.187 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -135.57 -91.42 0.29 Allowed 'General case' 0 C--N 1.35 0.617 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 169.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.1 tpt -89.62 105.67 17.95 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.484 -0.76 . . . . 0.0 110.515 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 p -89.15 -16.67 30.84 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 123.785 0.834 . . . . 0.0 111.916 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -81.88 168.3 18.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.5 1.12 . . . . 0.0 110.678 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.98 -0.4 16.73 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 123.449 1.595 . . . . 0.0 108.748 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.52 18.99 9.01 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 125.733 1.613 . . . . 0.0 110.813 -151.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -65.52 -34.87 79.27 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.034 -1.041 . . . . 0.0 109.358 158.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -60.93 -45.61 94.01 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 120.436 -1.415 . . . . 0.0 111.385 172.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.05 -51.39 68.0 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.164 1.385 . . . . 0.0 111.895 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -50.64 -55.16 17.67 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.684 1.194 . . . . 0.0 112.569 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.69 -44.31 98.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.752 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.45 -47.18 87.25 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.831 -1.168 . . . . 0.0 113.312 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -33.59 63.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.344 -1.473 . . . . 0.0 111.16 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.04 75.53 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 123.963 0.905 . . . . 0.0 112.124 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -49.94 -47.3 52.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 125.245 1.418 . . . . 0.0 112.493 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -66.3 -26.63 67.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.56 -24.51 62.8 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.322 -1.486 . . . . 0.0 113.146 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CG ' HG21 ' A' ' 129' ' ' VAL . 12.7 m-85 -81.34 -51.65 8.13 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 121.358 -0.839 . . . . 0.0 110.781 166.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -75.66 77.68 2.64 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.464 1.106 . . . . 0.0 112.285 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.29 -37.36 77.51 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.487 1.915 . . . . 0.0 112.187 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -77.55 -18.3 57.07 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 125.663 1.585 . . . . 0.0 111.307 -167.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 62.59 37.58 12.95 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.275 2.23 . . . . 0.0 110.498 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -95.66 -20.2 19.11 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 121.761 0.791 . . . . 0.0 110.369 -167.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.44 12.64 55.74 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 120.479 -1.388 . . . . 0.0 110.69 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -135.72 143.97 45.64 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.493 1.117 . . . . 0.0 108.65 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.54 107.44 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 158.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.2 p -85.38 170.57 12.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.9 0.857 . . . . 0.0 110.753 170.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -45.54 -48.82 14.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.625 1.97 . . . . 0.0 112.759 166.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -58.82 -46.57 87.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.552 1.541 . . . . 0.0 112.107 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.961 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -52.68 62.8 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.971 1.308 . . . . 0.0 112.735 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -67.91 -31.97 72.11 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.596 -1.315 . . . . 0.0 113.54 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 132' ' ' GLU . 1.2 tmm_? -62.76 -37.4 86.49 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.767 -1.208 . . . . 0.0 111.888 171.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 113' ' ' PHE . 25.5 t -66.56 -47.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 O-C-N 120.499 -1.376 . . . . 0.0 111.875 169.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.7 64.46 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -77.36 -14.82 59.64 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.441 ' OE1' ' NH1' ' A' ' 128' ' ' ARG . 40.9 tt0 -73.09 -44.1 60.91 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.352 -0.843 . . . . 0.0 110.854 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.37 -37.21 80.21 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.368 -0.833 . . . . 0.0 110.34 170.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.58 25.03 9.54 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.49 124.52 34.58 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -87.34 74.52 9.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 119.978 -1.701 . . . . 0.0 111.522 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.73 145.39 31.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.869 1.268 . . . . 0.0 111.699 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.443 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 28.8 p -95.41 32.79 1.7 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -168.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.46 ' HA ' HD23 ' A' ' 142' ' ' LEU . 0.9 OUTLIER 67.34 -43.88 0.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.31 1.844 . . . . 0.0 115.353 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.81 -39.18 93.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.72 -1.238 . . . . 0.0 113.286 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 138' ' ' THR . 6.0 pm0 -74.68 -24.84 58.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 119.922 -1.736 . . . . 0.0 112.708 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 139' ' ' ASP . 3.2 mm? -63.51 -43.03 98.38 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.372 -1.455 . . . . 0.0 109.531 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.58 -49.45 76.57 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.001 0.921 . . . . 0.0 110.675 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -50.89 -51.62 50.01 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.408 1.083 . . . . 0.0 113.129 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.1 mtm -55.87 -41.84 74.98 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.4 -40.96 56.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.378 -0.826 . . . . 0.0 110.758 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.46 -40.8 97.81 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.939 -1.1 . . . . 0.0 112.562 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -53.28 -54.7 32.46 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.354 2.262 . . . . 0.0 110.966 165.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.6 50.85 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.77 -1.206 . . . . 0.0 114.065 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.7 t70 84.29 92.75 0.03 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 160.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -95.67 1.32 53.48 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.528 -1.357 . . . . 0.0 111.342 161.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.14 -38.87 26.46 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.066 1.346 . . . . 0.0 110.22 -171.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.03 -50.94 0.1 Allowed Glycine 0 C--N 1.353 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 113.335 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.8 -41.73 9.49 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 118.127 0.964 . . . . 0.0 110.173 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 106.45 -53.95 0.6 Allowed Glycine 0 C--N 1.351 1.377 0 O-C-N 120.799 -1.188 . . . . 0.0 110.711 171.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -114.58 -160.32 0.73 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 103.757 -2.683 . . . . 0.0 103.757 161.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.2 t -116.18 107.63 23.06 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 O-C-N 120.365 -1.459 . . . . 0.0 111.846 -159.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.9 p -87.81 -176.05 5.36 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.44 -2.037 . . . . 0.0 110.816 170.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.58 -31.87 72.84 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.219 -1.55 . . . . 0.0 112.659 -174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.67 -37.82 87.56 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.208 -0.933 . . . . 0.0 112.254 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.56 -42.11 83.14 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.24 -1.537 . . . . 0.0 110.339 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.52 -43.66 93.34 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.419 -0.8 . . . . 0.0 111.673 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.93 -45.79 82.5 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.165 -1.584 . . . . 0.0 112.022 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -57.85 -46.22 85.12 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.813 1.188 . . . . 0.0 113.57 171.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -37.48 79.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 O-C-N 120.582 -1.323 . . . . 0.0 112.318 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 95.0 mmm -73.84 -45.48 50.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.283 -1.511 . . . . 0.0 112.112 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -71.96 -7.1 46.65 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.474 -1.391 . . . . 0.0 114.343 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -49.64 -44.06 47.23 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.959 1.704 . . . . 0.0 111.118 162.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 35.6 m -80.27 85.25 5.81 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 123.67 1.7 . . . . 0.0 109.062 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 43.2 m -113.12 53.07 0.77 Allowed 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 166.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.7 tp 80.21 61.77 0.02 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.397 2.279 . . . . 0.0 108.751 -169.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 73.6 t80 . . . . . 0 C--O 1.257 1.467 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -173.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.513 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . 57.07 63.63 1.86 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.372 1.558 . . . . 0.0 110.921 -166.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.3 OUTLIER -116.35 -67.39 1.0 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 127.093 2.157 . . . . 0.0 106.561 -173.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 29.0 tp -94.74 136.8 34.62 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.425 0.69 . . . . 0.0 110.981 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 58.34 69.57 0.72 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 116.436 2.014 . . . . 0.0 116.436 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -69.75 71.15 0.34 Allowed 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.806 1.409 . . . . 0.0 114.806 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -74.79 -39.36 61.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.326 1.05 . . . . 0.0 111.271 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -149.08 -105.03 0.08 Allowed 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.757 -0.589 . . . . 0.0 109.462 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 5.4 t 53.55 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 128.158 2.583 . . . . 0.0 117.366 -172.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.05 -5.53 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 129.267 3.027 . . . . 0.0 116.273 -153.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.95 -27.06 68.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 118.354 -2.717 . . . . 0.0 111.925 159.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -57.25 -51.26 70.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.652 1.581 . . . . 0.0 110.577 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -45.47 -46.57 13.75 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 126.753 2.021 . . . . 0.0 113.317 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.08 42.22 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.224 -0.922 . . . . 0.0 112.879 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.42 -49.78 65.61 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.971 -1.08 . . . . 0.0 113.501 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 120.819 -1.176 . . . . 0.0 111.194 -174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.78 -21.68 62.46 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.921 -1.112 . . . . 0.0 113.078 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -84.14 -45.18 13.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.532 -0.73 . . . . 0.0 110.269 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.3 p -86.21 -35.86 9.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.26 1.606 0 CA-C-N 119.581 1.082 . . . . 0.0 110.771 -165.609 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.92 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -79.03 167.24 21.37 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.64 -0.662 . . . . 0.0 111.015 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -137.03 -145.44 0.21 Allowed 'General case' 0 C--N 1.348 0.515 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.4 mtt 80.36 144.66 0.08 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.075 2.15 . . . . 0.0 112.863 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.5 m -177.33 160.09 1.64 Allowed 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.75 -67.42 0.82 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.91 1.338 . . . . 0.0 108.434 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -106.62 -23.36 12.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 128.032 2.533 . . . . 0.0 108.587 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -30.47 67.8 Favored 'General case' 0 N--CA 1.435 -1.18 1 C-N-CA 132.518 4.327 . . . . 0.0 113.356 -163.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -57.55 -37.63 73.41 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 125.003 1.321 . . . . 0.0 112.484 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -66.29 -46.34 77.3 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.547 -1.346 . . . . 0.0 112.363 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -36.71 73.64 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 0.0 110.904 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -55.66 -50.41 70.3 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.98 1.712 . . . . 0.0 112.875 170.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.12 -46.21 92.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.876 -1.14 . . . . 0.0 112.668 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.6 -39.67 92.06 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.353 -1.467 . . . . 0.0 113.622 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -66.38 -42.92 87.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.037 -1.664 . . . . 0.0 112.436 171.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.97 84.95 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.896 -1.128 . . . . 0.0 112.509 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.42 -44.51 68.84 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.664 1.586 . . . . 0.0 112.878 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -18.81 57.63 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.21 -34.11 59.26 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.845 1.258 . . . . 0.0 111.06 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.409 ' CD1' HG21 ' A' ' 129' ' ' VAL . 12.3 m-85 -59.32 -59.31 5.66 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 121.11 -0.993 . . . . 0.0 112.723 164.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -88.25 91.14 8.67 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.837 -1.164 . . . . 0.0 114.003 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.54 -26.05 66.96 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.749 -1.219 . . . . 0.0 112.735 170.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -87.16 -18.91 29.28 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.255 0.622 . . . . 0.0 110.082 -158.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 66.87 49.46 1.19 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 122.939 1.352 . . . . 0.0 111.561 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -32.74 25.77 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.94 68.99 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -143.68 146.38 33.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 88.6 mt -90.92 101.5 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 O-C-N 120.045 -1.66 . . . . 0.0 108.401 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 p -80.97 174.33 11.73 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.755 -1.216 . . . . 0.0 110.241 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CZ ' HD23 ' A' ' 142' ' ' LEU . 25.1 t80 -49.35 -42.63 42.4 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.489 1.915 . . . . 0.0 111.809 171.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -62.9 -41.35 99.41 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.571 1.548 . . . . 0.0 112.004 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -75.58 -40.77 56.1 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 127.001 2.12 . . . . 0.0 109.07 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -43.81 87.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.604 -1.31 . . . . 0.0 112.978 171.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -61.16 -30.37 70.35 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -56.08 -52.07 65.62 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.758 -1.214 . . . . 0.0 111.337 172.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 113' ' ' PHE . 92.8 t -66.19 -40.76 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.821 0.848 . . . . 0.0 111.137 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.85 75.55 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 171.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -63.0 -53.34 55.45 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 123.849 0.859 . . . . 0.0 112.679 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.2 -30.62 67.77 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.83 -40.63 28.11 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 167.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.7 64.67 1.25 Allowed Glycine 0 C--N 1.352 1.449 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.28 167.35 22.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.32 -17.26 32.83 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 112.275 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.87 179.03 7.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.658 1.183 . . . . 0.0 111.107 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 m -104.87 -73.14 0.69 Allowed 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 120.226 -1.546 . . . . 0.0 108.088 -169.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -150.23 2.07 0.48 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.239 2.215 . . . . 0.0 110.353 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -66.0 -47.05 75.79 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 126.64 1.976 . . . . 0.0 108.117 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 142' ' ' LEU . 1.9 pt-20 -30.04 -63.0 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 129.827 3.251 . . . . 0.0 114.023 172.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 142' ' ' LEU . 0.1 OUTLIER -69.93 -45.69 66.98 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 121.952 -0.467 . . . . 0.0 110.027 -173.013 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.49 -45.64 93.01 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.807 -0.558 . . . . 0.0 112.002 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -51.93 67.68 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 125.222 1.409 . . . . 0.0 111.307 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.0 mtm -59.05 -43.9 91.73 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -57.04 -54.09 34.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 C-N-CA 124.35 1.06 . . . . 0.0 111.053 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.57 -36.87 85.63 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.274 1.03 . . . . 0.0 112.347 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.915 -1.116 . . . . 0.0 112.033 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.8 -52.96 10.06 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -78.95 101.13 7.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.063 1.411 . . . . 0.0 110.678 -171.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -97.91 -26.83 14.53 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.524 -171.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.24 -31.91 21.43 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.148 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.33 74.38 1.16 Allowed Glycine 0 C--N 1.358 1.796 0 CA-C-N 120.121 1.328 . . . . 0.0 112.618 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.36 -54.38 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.63 -44.74 1.26 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -102.07 150.51 23.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 123.213 1.482 . . . . 0.0 107.848 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.3 104.8 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 O-C-N 120.033 -1.667 . . . . 0.0 108.165 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 80.9 p -69.32 175.68 3.81 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.311 1.053 . . . . 0.0 112.913 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -55.39 24.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 126.64 1.976 . . . . 0.0 110.712 172.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.29 -50.81 58.59 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 113.858 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.437 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 12.2 mm-40 -66.74 -36.98 83.72 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.734 -1.228 . . . . 0.0 112.471 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -65.41 -44.48 87.3 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.953 -1.092 . . . . 0.0 112.116 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.59 -42.02 98.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.153 -1.592 . . . . 0.0 111.973 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.437 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 46.7 mtp180 -60.77 -46.04 92.02 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 113.322 172.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -41.22 90.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 120.582 -1.324 . . . . 0.0 112.035 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.9 -42.4 66.8 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.199 -1.563 . . . . 0.0 113.045 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -71.97 -15.56 62.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.399 -1.438 . . . . 0.0 113.282 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -43.3 -48.52 6.8 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.67 1.988 . . . . 0.0 113.101 169.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 18.7 m -80.14 69.87 6.63 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 122.9 1.333 . . . . 0.0 110.358 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 29.6 m -96.4 1.46 51.75 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.091 0.957 . . . . 0.0 110.401 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -20.27 19.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.318 1.047 . . . . 0.0 111.347 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--O 1.262 1.753 0 C-N-CA 126.998 2.119 . . . . 0.0 109.526 -168.251 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' B' ' 642' ' ' ALA . 38.3 mtp-105 . . . . . 0 N--CA 1.511 2.594 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 642' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' B' ' 641' ' ' ARG . . . -77.93 -108.44 0.02 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.874 3.67 . . . . 0.0 110.723 0.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -76.35 179.19 5.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.97 146.15 31.83 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 121.185 -0.947 . . . . 0.0 108.549 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -144.59 169.76 17.37 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 73.2 m80 68.86 17.86 8.65 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.979 1.312 . . . . 0.0 114.143 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -74.5 130.18 39.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.88 1.272 . . . . 0.0 108.349 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -159.27 -171.48 3.36 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.409 -1.432 . . . . 0.0 109.992 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 23.3 t -92.97 -152.59 0.33 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.894 1.677 . . . . 0.0 108.283 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 37.3 t 70.18 -50.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.637 0 C-N-CA 127.978 2.511 . . . . 0.0 112.963 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 25.2 tp -47.49 -24.46 0.84 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 130.624 3.57 . . . . 0.0 116.528 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -61.38 -24.23 66.34 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.24 -1.537 . . . . 0.0 112.718 170.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -51.18 46.55 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.51 1.524 . . . . 0.0 111.83 166.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.18 36.73 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 121.512 -0.742 . . . . 0.0 110.646 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.3 -54.18 23.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 121.184 -0.948 . . . . 0.0 113.188 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 656' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' B' ' 659' ' ' VAL . 77.9 mt-30 -82.27 -28.18 31.94 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 120.464 -1.398 . . . . 0.0 111.799 -165.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.21 -4.58 57.36 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.673 0.669 . . . . 0.0 111.893 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -88.4 -45.72 9.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.259 -0.901 . . . . 0.0 108.887 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 656' ' ' GLN . 1.3 p -72.93 -37.1 53.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 120.585 -1.322 . . . . 0.0 114.005 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.261 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 178.685 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.529 3.504 0 CA-C-O 112.551 -3.595 . . . . 0.0 103.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -139.31 154.6 47.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 121.985 2.175 . . . . 0.0 106.559 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -147.46 146.48 29.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.1 ttt -127.46 139.77 52.59 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.439 -0.788 . . . . 0.0 109.546 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -81.6 76.51 8.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.062 0.934 . . . . 0.0 109.154 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.66 146.75 26.7 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 122.951 1.358 . . . . 0.0 113.07 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.94 32.69 1.02 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 173.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.98 -59.29 0.09 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 -151.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.28 1.2 p -61.22 -48.0 83.49 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.868 -1.77 . . . . 0.0 114.612 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -56.97 -35.11 68.77 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 121.825 2.102 . . . . 0.0 114.904 170.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.49 -50.63 72.81 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.438 1.095 . . . . 0.0 110.607 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.52 -1.363 . . . . 0.0 113.38 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.69 -47.46 91.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.417 -1.427 . . . . 0.0 111.378 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.65 -42.77 97.65 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.746 -1.221 . . . . 0.0 112.186 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.76 -43.14 97.3 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.025 -1.672 . . . . 0.0 113.005 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.99 93.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.65 1.58 . . . . 0.0 112.932 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -53.65 -43.01 68.45 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 125.184 1.394 . . . . 0.0 111.561 170.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -78.14 -12.95 60.03 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.06 -37.7 33.36 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.012 -1.68 . . . . 0.0 109.866 169.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -59.14 -60.92 3.1 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.518 0.727 . . . . 0.0 112.785 163.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -68.12 93.69 0.46 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.43 -39.86 73.78 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 127.435 2.294 . . . . 0.0 114.762 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -87.76 -21.9 24.87 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.617 1.167 . . . . 0.0 109.397 -171.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 69.91 42.7 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.993 2.117 . . . . 0.0 108.921 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.76 -35.78 15.53 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.913 1.285 . . . . 0.0 110.608 -165.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.59 28.04 3.11 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 124.598 1.094 . . . . 0.0 111.427 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -154.13 145.45 22.99 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.287 1.041 . . . . 0.0 110.785 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.0 mt -95.06 100.3 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.0 t -86.9 172.5 10.01 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 120.683 -1.26 . . . . 0.0 110.301 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.04 -40.97 70.81 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 125.556 1.542 . . . . 0.0 111.031 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -51.76 55.73 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 128.4 2.68 . . . . 0.0 111.486 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -70.07 -41.39 74.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 126.332 1.853 . . . . 0.0 111.363 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -53.35 58.68 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.407 1.483 . . . . 0.0 111.361 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -66.22 -34.12 77.29 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.584 0.754 . . . . 0.0 112.879 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -51.91 67.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 121.019 -1.051 . . . . 0.0 112.498 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.8 -41.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 120.085 -1.634 . . . . 0.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.6 -44.67 66.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 170.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -83.03 1.56 39.42 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -82.55 -47.08 12.56 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 119.915 -1.741 . . . . 0.0 109.338 163.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.47 -43.11 73.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.329 0.652 . . . . 0.0 112.165 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 26.85 8.14 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -87.79 115.9 25.57 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.815 0.817 . . . . 0.0 109.29 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -79.32 53.69 1.55 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -171.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.67 147.61 27.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.851 1.31 . . . . 0.0 111.424 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.3 m -83.82 153.7 23.91 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.213 1.405 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.59 -39.59 50.22 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.885 1.674 . . . . 0.0 115.381 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.73 -42.49 75.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.037 1.735 . . . . 0.0 112.983 171.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.69 -36.84 70.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.132 1.373 . . . . 0.0 111.121 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -40.89 94.62 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.723 -1.235 . . . . 0.0 110.934 171.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -66.68 -41.31 88.28 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.37 -0.831 . . . . 0.0 112.44 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.27 -48.82 54.71 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.89 1.276 . . . . 0.0 112.398 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.8 mtm -55.32 -49.18 72.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.92 -53.97 35.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 121.421 -0.799 . . . . 0.0 111.836 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.161 1.385 . . . . 0.0 112.297 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.75 -46.63 89.68 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.472 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.56 -47.63 31.51 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 121.295 -0.878 . . . . 0.0 112.43 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -76.81 68.79 3.07 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 124.202 1.953 . . . . 0.0 111.976 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -63.01 -30.23 71.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.75 2.02 . . . . 0.0 113.195 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.48 -24.66 16.55 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 118.679 -0.677 . . . . 0.0 112.786 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.33 54.2 1.03 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 120.526 1.512 . . . . 0.0 114.246 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.78 -27.35 25.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.132 1.373 . . . . 0.0 109.358 169.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 99.59 0.02 56.69 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 120.466 -1.396 . . . . 0.0 110.898 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -170.05 172.5 6.43 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 103.471 -2.788 . . . . 0.0 103.471 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.6 t -117.9 114.98 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 CA-C-O 122.201 1.0 . . . . 0.0 110.943 -156.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.7 t -83.78 179.98 7.44 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.184 0.992 . . . . 0.0 110.948 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.97 -49.76 74.79 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.791 1.636 . . . . 0.0 112.048 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.78 -41.18 70.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.54 1.536 . . . . 0.0 113.005 171.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.3 mp0 -68.18 -39.1 82.6 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.635 -1.291 . . . . 0.0 111.295 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.03 -42.53 89.46 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.97 -1.081 . . . . 0.0 111.989 173.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.65 -37.11 86.46 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.41 -1.431 . . . . 0.0 113.244 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 36.7 mtt180 -57.75 -51.61 68.85 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.798 1.239 . . . . 0.0 112.755 168.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.77 76.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 120.646 -1.284 . . . . 0.0 112.228 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 17.9 mmt -66.06 -25.69 67.15 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.142 -2.224 . . . . 0.0 113.579 170.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -73.46 -35.71 65.76 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.654 -1.279 . . . . 0.0 112.574 169.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -55.49 -53.96 49.87 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.889 1.275 . . . . 0.0 111.977 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.2 m -82.21 89.03 6.48 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.022 -1.049 . . . . 0.0 113.164 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.8 p -79.33 28.69 0.24 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 126.436 1.894 . . . . 0.0 112.876 171.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 14.9 tp 66.0 36.21 5.97 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 126.62 1.968 . . . . 0.0 109.386 -161.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.259 1.563 0 C-N-CA 127.963 2.505 . . . . 0.0 112.418 -168.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' B' ' 642' ' ' ALA . 13.3 ptp180 . . . . . 0 N--CA 1.513 2.699 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 642' ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' B' ' 643' ' ' ASP 0.272 . . -85.54 -85.83 0.14 Allowed 'General case' 0 C--N 1.357 0.932 0 C-N-CA 128.859 2.864 . . . . 0.0 111.438 2.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.607 ' HA ' ' HB3' ' B' ' 642' ' ' ALA . 0.4 OUTLIER -166.01 -177.57 4.27 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 124.893 3.497 . . . . 0.0 112.699 16.019 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 93.8 mt -114.21 -40.47 3.67 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 126.783 2.033 . . . . 0.0 108.313 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -163.09 -11.85 0.03 OUTLIER 'General case' 0 C--N 1.356 0.857 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -80.3 120.4 24.32 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.214 -1.554 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -111.79 131.09 55.56 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -67.0 140.24 57.7 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.125 -1.609 . . . . 0.0 114.042 -168.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 50.3 m -78.88 127.08 31.56 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.795 1.238 . . . . 0.0 113.7 -167.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 3.9 m -143.53 171.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 1 C-N-CA 132.273 4.229 . . . . 0.0 104.592 -14.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 24.0 tp 68.57 -52.32 0.56 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 127.354 2.261 . . . . 0.0 115.964 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -46.73 -47.01 20.7 Favored 'General case' 0 CA--C 1.503 -0.863 0 C-N-CA 126.407 1.883 . . . . 0.0 111.6 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -6.63 -70.27 0.0 OUTLIER 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.081 3.352 . . . . 0.0 115.894 152.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.37 -24.85 36.77 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 124.223 1.009 . . . . 0.0 111.507 -168.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 15.7 tp -83.87 -45.48 13.19 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 121.616 0.722 . . . . 0.0 111.066 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.68 -47.1 82.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.468 1.507 . . . . 0.0 111.504 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -80.74 -0.06 36.82 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 121.141 -0.974 . . . . 0.0 112.396 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -82.67 -58.55 2.85 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.325 -1.484 . . . . 0.0 108.127 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.96 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.265 1.878 0 CA-C-O 116.427 -1.749 . . . . 0.0 110.945 176.148 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.516 2.871 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -124.21 -122.52 0.26 Allowed 'General case' 0 C--N 1.348 0.53 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 166.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -79.12 158.69 27.72 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.225 -0.922 . . . . 0.0 111.465 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 mmt -102.41 149.18 24.62 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -163.74 143.71 8.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 119.901 -1.749 . . . . 0.0 107.454 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -151.28 -110.54 0.05 Allowed 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -174.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -74.45 -13.93 60.77 Favored 'General case' 0 C--N 1.358 0.955 0 O-C-N 119.345 -2.097 . . . . 0.0 113.88 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.91 -33.4 71.8 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.48 1.912 . . . . 0.0 112.602 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.2 p -62.46 -63.25 1.28 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.531 0.732 . . . . 0.0 112.721 -173.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -64.75 -31.95 73.41 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.796 -1.815 . . . . 0.0 112.445 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -51.79 68.47 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.209 1.368 . . . . 0.0 111.744 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.01 -46.25 91.51 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.886 1.275 . . . . 0.0 110.985 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.3 mm -69.02 -41.78 81.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 113.328 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.36 -41.48 85.02 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.758 -1.839 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -58.86 -48.77 80.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.697 -1.252 . . . . 0.0 111.589 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.83 86.92 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 113.762 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.82 -47.64 70.69 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.711 1.604 . . . . 0.0 112.09 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -78.17 -18.73 55.17 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.25 -34.78 78.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.378 -1.451 . . . . 0.0 112.554 162.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' ' 129' ' ' VAL . 65.3 m-85 -67.88 -54.8 16.08 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.802 -1.186 . . . . 0.0 112.824 163.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.97 70.49 0.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.985 1.714 . . . . 0.0 113.69 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 1.1 m-20 -55.16 -45.48 75.71 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 127.138 2.175 . . . . 0.0 113.782 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -7.45 59.48 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.047 1.339 . . . . 0.0 111.596 -163.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 64.1 60.18 1.01 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.318 1.447 . . . . 0.0 112.729 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 t -111.8 -22.34 11.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.301 -0.875 . . . . 0.0 110.126 173.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.72 28.93 44.94 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 119.046 0.839 . . . . 0.0 111.407 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -147.53 147.23 29.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 64.9 mt -96.64 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 CA-C-O 122.2 1.0 . . . . 0.0 108.89 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.2 p -78.69 167.29 21.44 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 122.433 1.111 . . . . 0.0 112.641 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -57.33 -40.86 78.87 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.009 1.724 . . . . 0.0 110.507 170.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.04 -47.69 84.3 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.496 1.918 . . . . 0.0 111.796 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.53 -46.81 87.79 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.5 1.12 . . . . 0.0 112.088 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -50.52 55.21 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.218 1.407 . . . . 0.0 112.594 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -75.44 -17.08 60.26 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.416 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 3.3 mpt_? -65.27 -52.4 54.59 Favored 'General case' 0 C--N 1.363 1.178 0 O-C-N 120.298 -1.502 . . . . 0.0 109.419 163.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.52 HG21 ' CD1' ' A' ' 113' ' ' PHE . 50.9 t -57.06 -45.03 83.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.027 0.931 . . . . 0.0 111.946 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.74 -47.43 64.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 172.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -23.99 58.44 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.765 -1.21 . . . . 0.0 113.384 177.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -68.04 -44.11 77.17 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 121.254 -0.904 . . . . 0.0 112.374 173.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.83 -39.78 63.8 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 121.033 -1.042 . . . . 0.0 111.143 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.06 41.97 1.86 Allowed Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -82.71 120.1 25.16 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.906 0.86 . . . . 0.0 111.539 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 58.83 5.27 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.705 -1.247 . . . . 0.0 109.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 164.43 12.25 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.292 1.037 . . . . 0.0 112.025 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.1 p -90.24 164.47 14.38 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.024 -1.047 . . . . 0.0 110.836 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -60.01 0.95 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 129.487 3.115 . . . . 0.0 114.351 168.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.33 -36.02 30.29 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.843 2.057 . . . . 0.0 115.439 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.099 -1.625 . . . . 0.0 112.184 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.77 -43.11 89.84 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.674 -1.266 . . . . 0.0 110.517 171.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -48.49 79.89 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.092 1.757 . . . . 0.0 111.943 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -49.5 -53.25 24.31 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 127.228 2.211 . . . . 0.0 111.77 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 mtm -57.46 -37.82 73.48 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.91 -51.42 55.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.286 -1.509 . . . . 0.0 111.683 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.35 -36.85 79.86 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.854 0.862 . . . . 0.0 111.609 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.89 -55.49 31.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.959 1.703 . . . . 0.0 112.47 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.21 -51.33 12.3 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -165.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 161' ' ' GLU . 10.9 t70 -80.06 59.43 3.26 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -159.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -66.53 -49.17 67.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.534 1.534 . . . . 0.0 114.282 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -114.74 26.04 10.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.069 -1.019 . . . . 0.0 108.559 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.28 -107.32 2.5 Favored Glycine 0 C--N 1.358 1.793 0 O-C-N 121.452 -0.78 . . . . 0.0 114.651 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.73 -41.46 0.44 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.616 1.166 . . . . 0.0 109.667 -164.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.73 -31.45 1.89 Allowed Glycine 0 C--N 1.354 1.53 0 O-C-N 120.545 -1.347 . . . . 0.0 109.908 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -133.77 154.15 51.2 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 9.2 t -78.2 113.45 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 CA-C-O 121.369 0.604 . . . . 0.0 112.46 -142.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 163.18 22.39 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.54 -0.725 . . . . 0.0 111.393 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.334 -1.479 . . . . 0.0 113.656 -170.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.61 -41.02 84.92 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.519 1.128 . . . . 0.0 110.667 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 150' ' ' ASP . 67.4 mm-40 -79.85 -42.41 24.34 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 125.023 1.329 . . . . 0.0 109.616 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -59.15 -48.08 82.93 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.731 -0.605 . . . . 0.0 111.864 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.02 -28.03 62.11 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.023 -1.673 . . . . 0.0 113.288 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.418 ' NH1' ' OE1' ' A' ' 161' ' ' GLU . 34.6 ttm180 -58.65 -52.82 64.05 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.135 1.334 . . . . 0.0 112.58 171.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.55 -32.86 60.07 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 121.478 -0.764 . . . . 0.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.5 mmt -72.36 -43.46 63.99 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.336 -0.853 . . . . 0.0 112.362 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -55.54 -27.11 46.93 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.307 1.843 . . . . 0.0 113.806 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -54.21 -25.18 21.5 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 168.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.4 m -147.28 64.66 1.15 Allowed 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.647 -1.908 . . . . 0.0 109.412 158.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 30.9 p -81.46 -44.98 16.67 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 162.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.91 105.8 3.14 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 164.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--O 1.257 1.466 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 178.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.519 ' N ' ' OD1' ' B' ' 643' ' ' ASP . 83.3 mtm180 . . . . . 0 N--CA 1.511 2.611 0 CA-C-O 119.15 -0.452 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -92.47 17.83 9.41 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 130.686 3.594 . . . . 0.0 112.497 0.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 641' ' ' ARG . 7.1 p-10 -59.57 151.34 24.72 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.735 2.014 . . . . 0.0 113.938 174.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 75.3 mt -127.33 150.92 49.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -123.63 -91.43 0.55 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-O 120.724 0.297 . . . . 0.0 111.006 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -75.19 57.77 0.88 Allowed 'General case' 0 C--N 1.352 0.686 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -80.78 174.34 11.71 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.803 1.241 . . . . 0.0 111.955 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 62.48 30.15 17.17 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.055 1.342 . . . . 0.0 114.212 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 77.3 p -90.14 -170.89 2.93 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.272 1.034 . . . . 0.0 111.433 -173.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.17 48.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 119.802 -1.811 . . . . 0.0 112.476 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 18.9 tp -95.82 -25.08 16.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.779 1.631 . . . . 0.0 112.206 -166.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -41.72 99.51 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 126.116 1.766 . . . . 0.0 110.664 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -44.64 -60.32 2.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.392 1.877 . . . . 0.0 112.623 165.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.37 96.16 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.126 1.37 . . . . 0.0 112.54 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.99 -49.75 66.73 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 112.272 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -72.97 -32.76 65.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.63 -1.294 . . . . 0.0 113.507 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.23 61.13 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.512 -1.367 . . . . 0.0 112.545 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -86.73 -56.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 123.782 0.833 . . . . 0.0 110.024 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.33 -29.75 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 120.846 -1.159 . . . . 0.0 110.731 -168.506 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.518 2.963 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -89.9 152.51 21.2 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -152.59 141.98 21.62 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.352 -2.833 . . . . 0.0 103.352 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 21.0 mmt -120.03 149.72 41.72 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 m -118.35 -52.53 2.38 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -126.52 -41.39 1.87 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 124.437 1.095 . . . . 0.0 110.033 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -153.45 -136.06 0.06 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -118.78 -71.92 0.71 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 158.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -15.77 -65.53 0.01 OUTLIER 'General case' 0 C--N 1.355 0.835 0 N-CA-C 119.833 3.271 . . . . 0.0 119.833 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.4 -46.59 82.64 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.561 -1.337 . . . . 0.0 113.147 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.41 -15.4 57.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 121.051 -1.031 . . . . 0.0 110.789 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.47 -32.71 74.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.575 -1.328 . . . . 0.0 112.721 164.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mt -63.24 -41.81 94.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 119.666 -1.896 . . . . 0.0 110.504 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.83 -45.51 92.25 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.686 -1.258 . . . . 0.0 113.249 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -50.97 -53.02 36.81 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.66 1.984 . . . . 0.0 111.806 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.19 97.02 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.349 1.459 . . . . 0.0 112.555 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.76 -44.76 77.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.462 1.105 . . . . 0.0 112.347 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -77.37 -26.97 52.39 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.654 -1.279 . . . . 0.0 114.365 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.47 -35.16 79.54 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.579 -1.951 . . . . 0.0 111.527 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.44 ' CD1' HG21 ' A' ' 129' ' ' VAL . 28.2 m-85 -65.45 -61.46 2.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 158.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -71.47 68.37 0.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.603 1.561 . . . . 0.0 114.814 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.65 -32.02 67.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 129.381 3.072 . . . . 0.0 110.134 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.23 -17.32 60.9 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.297 1.839 . . . . 0.0 111.213 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 58.34 41.0 23.85 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.53 2.332 . . . . 0.0 113.383 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -97.76 -11.15 23.72 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.07 -1.019 . . . . 0.0 112.263 -172.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.74 25.29 53.74 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 120.696 -1.253 . . . . 0.0 110.914 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -152.22 148.25 27.35 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.05 91.86 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 160.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -64.37 159.72 20.57 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.386 1.874 . . . . 0.0 111.745 170.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -56.25 -35.71 67.72 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.367 1.467 . . . . 0.0 110.99 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.87 -52.37 65.72 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.91 1.284 . . . . 0.0 112.01 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.78 -43.29 99.14 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.165 1.786 . . . . 0.0 111.37 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -54.24 48.1 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.509 1.523 . . . . 0.0 112.078 173.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -27.7 64.24 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.75 -1.219 . . . . 0.0 114.176 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -57.21 -51.0 71.1 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.081 1.353 . . . . 0.0 111.78 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 113' ' ' PHE . 48.2 t -58.51 -45.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 121.303 -0.873 . . . . 0.0 112.164 175.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -34.98 60.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -60.94 -55.4 33.41 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 121.256 -0.903 . . . . 0.0 111.579 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.22 -10.9 59.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 112.628 -165.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.46 -33.46 75.75 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.218 -0.926 . . . . 0.0 112.507 159.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.96 38.97 10.62 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 136' ' ' ASN . 2.0 tm-20 -90.05 -176.92 5.04 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.096 1.427 . . . . 0.0 113.546 -172.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.465 ' H ' ' CD ' ' A' ' 135' ' ' GLU . 48.1 m-80 -123.7 -38.46 2.51 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.458 2.703 . . . . 0.0 108.767 -164.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 148.05 23.2 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 21.9 p -101.67 -175.35 2.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 111.98 -167.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -66.62 -30.6 70.91 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -166.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.88 -42.85 69.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.337 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.13 -45.98 83.04 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.716 -1.24 . . . . 0.0 111.886 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.18 -38.06 82.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.058 1.343 . . . . 0.0 113.305 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -46.93 83.22 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.144 1.378 . . . . 0.0 111.502 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.67 -30.58 71.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.716 -1.24 . . . . 0.0 112.561 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mtt -55.58 -46.27 77.25 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 120.776 -1.203 . . . . 0.0 113.801 166.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.13 -49.55 81.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 124.606 1.162 . . . . 0.0 111.329 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -55.23 -53.24 58.55 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.474 1.11 . . . . 0.0 111.497 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -71.83 -22.5 61.54 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.658 -1.276 . . . . 0.0 113.646 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.51 -58.31 3.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.376 -1.452 . . . . 0.0 112.368 166.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -88.03 75.33 8.76 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.722 -1.236 . . . . 0.0 110.106 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -65.02 -33.47 76.11 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.78 -41.1 38.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.829 1.251 . . . . 0.0 110.674 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.53 73.31 1.1 Allowed Glycine 0 C--N 1.353 1.48 0 O-C-N 121.592 -0.692 . . . . 0.0 112.526 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -85.08 -43.87 13.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 162.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 139.91 -40.29 1.42 Allowed Glycine 0 CA--C 1.487 -1.708 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 170.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -127.44 158.78 36.43 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.92 113.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 O-C-N 120.944 -1.097 . . . . 0.0 111.281 -159.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.36 176.21 9.55 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.665 -1.272 . . . . 0.0 112.32 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -54.21 42.23 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.959 1.304 . . . . 0.0 111.705 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -43.11 -46.7 5.89 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 126.011 1.725 . . . . 0.0 114.96 163.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.409 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.5 mp0 -69.19 -39.63 78.56 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.059 -1.651 . . . . 0.0 111.69 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -61.85 -47.08 86.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.36 -0.837 . . . . 0.0 111.48 171.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.94 -48.05 76.45 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.525 1.13 . . . . 0.0 112.175 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.409 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 53.5 mtp180 -55.59 -52.61 63.19 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.933 1.293 . . . . 0.0 113.894 173.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.82 -38.95 83.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 O-C-N 121.042 -1.036 . . . . 0.0 112.679 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 94.3 mmm -68.29 -38.66 81.89 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 121.253 -0.905 . . . . 0.0 112.075 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.52 -25.63 64.65 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -55.21 -46.16 75.91 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 120.907 -1.121 . . . . 0.0 112.458 167.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 6.3 m -93.41 58.44 2.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.695 1.235 . . . . 0.0 108.968 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 69.8 p -81.6 -31.71 32.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.006 -1.059 . . . . 0.0 111.285 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 171' ' ' LEU . 2.4 pt? -105.91 -28.8 10.38 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.726 1.21 . . . . 0.0 112.265 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.262 1.759 0 C-N-CA 126.562 1.945 . . . . 0.0 111.731 -170.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 112.738 -3.506 . . . . 0.0 103.541 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -145.05 -177.31 5.47 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.13 -175.52 4.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -156.36 -65.11 0.11 Allowed 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -157.3 53.82 0.49 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -106.4 -65.59 1.07 Allowed 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 124.128 0.971 . . . . 0.0 111.809 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -83.61 123.81 30.17 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.855 -1.153 . . . . 0.0 111.995 -172.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -157.76 0.24 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.603 1.161 . . . . 0.0 112.824 -176.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 99.5 p -74.8 152.77 38.96 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.285 -1.51 . . . . 0.0 109.96 168.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.24 6.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -167.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 17.6 tp -81.48 -15.11 56.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.231 2.212 . . . . 0.0 110.674 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -52.37 -38.71 59.51 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.663 1.585 . . . . 0.0 112.737 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -36.58 -50.6 0.81 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.354 2.662 . . . . 0.0 114.656 166.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.35 -45.2 26.83 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.523 -0.736 . . . . 0.0 111.459 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.32 -36.55 58.23 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.213 -0.93 . . . . 0.0 112.849 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.91 -42.68 66.44 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.315 -1.491 . . . . 0.0 110.993 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.67 -18.74 65.53 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.364 -1.46 . . . . 0.0 113.44 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.16 -59.07 3.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.299 1.44 . . . . 0.0 111.158 166.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.26 -19.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.266 1.967 0 O-C-N 119.664 -1.897 . . . . 0.0 112.317 -169.478 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.516 2.86 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -83.07 79.41 9.37 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 122.076 0.941 . . . . 0.0 111.517 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -159.08 -84.4 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.0 mtt 55.51 -121.66 1.74 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.687 1.195 . . . . 0.0 111.273 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.0 p 71.99 9.37 6.08 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 164.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.74 139.45 41.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.229 -0.919 . . . . 0.0 112.611 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.31 -158.13 0.13 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 11.01 -80.62 0.0 OUTLIER 'General case' 0 C--N 1.355 0.834 1 C-N-CA 132.161 4.184 . . . . 0.0 118.256 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -66.23 -14.53 62.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.276 -1.515 . . . . 0.0 113.273 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -66.19 -35.38 80.31 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.859 -2.4 . . . . 0.0 112.546 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -34.79 72.4 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 120.981 -1.074 . . . . 0.0 109.832 172.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.11 -45.31 91.23 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.119 0.568 . . . . 0.0 112.517 169.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.78 -45.82 97.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.553 -1.342 . . . . 0.0 111.414 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.93 -45.46 90.32 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.668 -1.27 . . . . 0.0 112.279 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.63 -47.1 86.92 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.26 1.424 . . . . 0.0 112.466 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.69 73.51 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.998 2.119 . . . . 0.0 112.799 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -54.87 -46.54 74.73 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.298 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -71.31 -33.78 69.98 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' B' ' 648' ' ' HIS . 96.1 mt -65.78 -35.61 81.18 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.555 -1.34 . . . . 0.0 112.288 172.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.69 -58.77 5.37 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 121.098 -1.001 . . . . 0.0 112.912 163.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -71.47 81.65 0.79 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 123.39 1.567 . . . . 0.0 112.609 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -47.11 -40.32 15.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 131.577 3.951 . . . . 0.0 112.819 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.4 -36.68 20.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.586 1.155 . . . . 0.0 110.84 -174.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.25 45.5 mt-10 74.19 47.17 0.15 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.958 2.103 . . . . 0.0 110.027 -172.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 t -88.94 -16.31 32.13 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.752 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.57 24.38 12.34 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 124.678 1.132 . . . . 0.0 110.529 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -153.22 143.33 22.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 122.2 1.0 . . . . 0.0 109.245 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.18 89.16 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 120.236 -1.54 . . . . 0.0 107.906 166.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -68.37 167.99 13.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 112.142 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.8 -41.5 95.76 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.672 1.589 . . . . 0.0 111.264 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -56.17 -45.48 79.69 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 111.941 170.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.89 -34.22 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.85 1.26 . . . . 0.0 110.136 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -57.67 11.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.365 1.466 . . . . 0.0 112.289 164.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HB2' HD13 ' A' ' 142' ' ' LEU . 1.5 ptmm? -71.13 -23.28 62.05 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -176.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -56.99 -58.08 9.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.211 1.804 . . . . 0.0 110.866 166.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.93 -40.48 62.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 C-N-CA 125.01 1.324 . . . . 0.0 113.045 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.27 -49.83 52.09 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.926 0.89 . . . . 0.0 112.905 170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.28 -37.13 69.1 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.429 -1.42 . . . . 0.0 113.837 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.44 -42.47 96.15 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.777 1.171 . . . . 0.0 112.258 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.86 -44.83 54.26 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.402 -0.812 . . . . 0.0 111.832 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.29 -2.23 22.28 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 121.57 -0.706 . . . . 0.0 111.398 -176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.14 97.53 1.96 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.92 1.688 . . . . 0.0 109.609 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -91.28 75.28 6.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.93 -1.731 . . . . 0.0 111.082 -173.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mp -81.47 160.27 24.01 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.525 0.73 . . . . 0.0 110.915 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.47 162.98 20.77 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.422 1.089 . . . . 0.0 109.437 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 142' ' ' LEU . 1.6 m-20 -68.2 -34.35 76.1 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.066 -1.646 . . . . 0.0 111.217 -171.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.21 -53.06 23.16 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 127.687 2.395 . . . . 0.0 113.415 165.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.75 -42.13 86.71 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 111.229 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 139' ' ' ASP . 23.1 mt -59.63 -41.02 89.52 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.654 1.182 . . . . 0.0 111.967 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -66.49 -42.49 87.35 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.714 1.205 . . . . 0.0 111.859 172.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -57.33 -40.32 77.72 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.754 -1.216 . . . . 0.0 112.938 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.6 mtm -56.47 -48.53 76.91 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.468 -1.395 . . . . 0.0 113.673 167.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.0 mm -55.84 -46.73 80.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.484 -1.385 . . . . 0.0 112.027 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -44.06 93.9 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.544 1.538 . . . . 0.0 113.715 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -53.88 -43.56 69.71 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.283 1.433 . . . . 0.0 112.486 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.95 -51.1 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -82.67 71.64 9.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.745 1.736 . . . . 0.0 109.651 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.54 -8.37 59.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.602 1.161 . . . . 0.0 112.09 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.29 -44.36 12.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.006 0.923 . . . . 0.0 109.225 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.4 47.35 0.87 Allowed Glycine 0 C--N 1.359 1.821 0 O-C-N 120.768 -1.208 . . . . 0.0 113.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.71 -54.35 4.3 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 119.18 11.24 7.6 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 125.117 1.342 . . . . 0.0 110.958 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -155.98 125.57 6.34 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -169.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.22 127.07 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 O-C-N 120.719 -1.238 . . . . 0.0 112.087 -155.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.6 p -72.73 173.25 9.33 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.956 1.302 . . . . 0.0 112.597 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -46.53 76.51 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.684 -1.26 . . . . 0.0 109.535 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.57 -32.18 64.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.807 0.843 . . . . 0.0 112.863 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -37.01 76.09 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.306 -1.496 . . . . 0.0 110.617 174.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -59.96 -51.14 70.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.427 0.691 . . . . 0.0 111.46 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.09 -42.42 80.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.68 -1.262 . . . . 0.0 113.793 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.59 -53.39 55.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.794 1.238 . . . . 0.0 112.117 171.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.303 2.4 pp -68.1 -36.28 74.77 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 119.925 1.239 . . . . 0.0 114.02 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 96.1 mmm -67.97 -34.25 76.21 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 121.151 -0.968 . . . . 0.0 111.815 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -73.18 -40.9 64.42 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.949 -1.094 . . . . 0.0 112.036 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -60.7 -53.2 60.31 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.542 1.137 . . . . 0.0 113.426 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 23.7 m -80.59 76.58 7.45 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 120.634 1.561 . . . . 0.0 110.478 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 91.8 p -92.09 47.14 1.31 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.508 -1.37 . . . . 0.0 108.692 167.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.1 tp 62.01 62.41 1.23 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.427 1.891 . . . . 0.0 109.362 -164.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.259 1.563 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -160.642 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.492 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 52.8 mtm180 . . . . . 0 N--CA 1.51 2.571 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -81.74 70.07 8.55 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.439 -1.413 . . . . 0.0 109.221 167.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 3.3 m-20 -88.09 -50.72 6.21 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -165.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 35.6 tp -129.84 133.92 47.22 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 130.717 3.607 . . . . 0.0 106.75 -3.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -120.24 123.89 44.32 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 131.517 3.927 . . . . 0.0 105.213 -16.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -124.04 116.09 22.25 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 111.59 -165.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.92 101.48 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.025 -1.047 . . . . 0.0 108.363 164.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 648' ' ' HIS . . . . . 0.445 ' CD2' HD22 ' A' ' 112' ' ' LEU . 99.1 m-70 -76.1 69.68 2.7 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.363 -0.836 . . . . 0.0 112.762 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 23.6 t -37.52 -54.97 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.409 2.684 . . . . 0.0 115.05 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.87 -0.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 55.8 tp -72.4 -20.18 61.48 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.068 1.347 . . . . 0.0 111.894 166.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.74 -50.62 3.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.164 1.785 . . . . 0.0 114.481 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -35.24 -53.08 0.62 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 128.378 2.671 . . . . 0.0 115.067 167.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.45 72.38 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 124.87 1.268 . . . . 0.0 111.259 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 16.4 tp -72.85 -47.43 46.22 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.159 -0.963 . . . . 0.0 111.011 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.58 -38.33 83.89 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.201 1.0 . . . . 0.0 113.555 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.95 -5.93 59.27 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 122.497 1.142 . . . . 0.0 112.377 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -86.41 -42.39 13.67 Favored 'General case' 0 N--CA 1.435 -1.205 0 O-C-N 120.177 -1.577 . . . . 0.0 109.337 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.33 -39.06 27.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.877 -1.139 . . . . 0.0 112.933 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.261 1.698 0 CA-C-O 117.628 -1.177 . . . . 0.0 109.94 -175.164 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.909 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.35 169.86 15.18 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.719 0.69 . . . . 0.0 110.383 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.68 173.27 11.82 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 169.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.7 ptm -158.26 -52.37 0.07 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -77.09 135.28 38.59 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.723 1.209 . . . . 0.0 109.837 172.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -131.57 -35.03 1.32 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.143 0.977 . . . . 0.0 112.094 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -158.23 63.35 0.45 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 104.069 -2.567 . . . . 0.0 104.069 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.42 -50.2 1.08 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.827 0.823 . . . . 0.0 110.91 -155.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 p -64.12 -42.47 96.84 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 125.425 1.49 . . . . 0.0 112.172 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.18 -36.84 78.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.634 -1.291 . . . . 0.0 112.104 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.41 -38.85 78.1 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.335 1.054 . . . . 0.0 110.648 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.77 -47.55 79.89 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.87 0.868 . . . . 0.0 111.795 167.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -63.49 -43.86 98.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 O-C-N 121.233 -0.917 . . . . 0.0 111.907 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.82 -40.72 96.26 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.079 -1.638 . . . . 0.0 112.57 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.38 -43.02 95.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.612 -1.305 . . . . 0.0 112.278 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.34 89.42 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.686 1.194 . . . . 0.0 112.502 172.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.77 -44.99 86.55 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.5 1.12 . . . . 0.0 112.12 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -68.57 -35.42 77.36 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.13 -27.78 68.97 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.648 -1.282 . . . . 0.0 112.745 172.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -73.16 -69.6 0.41 Allowed 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.097 -1.002 . . . . 0.0 112.092 157.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.79 68.98 3.09 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.311 -1.493 . . . . 0.0 111.796 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' CG ' HH21 ' A' ' 128' ' ' ARG . 2.9 p30 -88.92 -7.28 56.37 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.728 -1.232 . . . . 0.0 111.184 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -82.81 -8.86 59.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.675 1.99 . . . . 0.0 109.941 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 58.25 50.21 10.06 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.602 1.961 . . . . 0.0 113.186 172.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.7 t -102.98 -6.44 22.39 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.352 -0.842 . . . . 0.0 110.015 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.43 13.57 75.96 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 118.828 0.74 . . . . 0.0 111.752 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -148.67 154.52 39.78 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -172.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.22 105.91 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 169.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -84.68 156.18 21.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.973 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 122.6 1.19 . . . . 0.0 109.123 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -51.9 -55.56 19.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.719 2.408 . . . . 0.0 110.493 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.26 -26.54 42.38 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 121.455 -0.778 . . . . 0.0 112.926 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -49.49 68.11 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.824 -1.798 . . . . 0.0 111.504 167.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -64.03 -39.52 94.28 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.703 1.201 . . . . 0.0 113.718 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.445 HH21 ' CG ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.623 1.169 . . . . 0.0 112.507 172.088 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.6 -46.38 79.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 126.203 1.801 . . . . 0.0 111.266 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.91 44.08 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 18.9 pttp -74.04 -31.02 62.71 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.075 -1.016 . . . . 0.0 113.134 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.401 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -72.26 -32.96 67.12 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.153 -0.967 . . . . 0.0 112.667 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.89 -38.44 76.33 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 120.537 -1.352 . . . . 0.0 109.879 164.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.09 38.28 3.62 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.38 173.7 7.77 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 123.397 1.57 . . . . 0.0 111.814 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -92.03 -75.16 0.49 Allowed 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.793 2.037 . . . . 0.0 107.509 -174.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.21 -138.6 0.99 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.76 1.624 . . . . 0.0 112.342 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.42 -158.7 0.12 Allowed 'General case' 0 CA--C 1.511 -0.556 1 N-CA-C 99.512 -4.255 . . . . 0.0 99.512 175.731 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.02 -38.57 11.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.884 2.129 . . . . 0.0 107.861 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -48.35 -50.26 31.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 129.635 3.174 . . . . 0.0 112.671 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.59 -43.23 71.97 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 113.997 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.5 -43.09 81.72 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.71 -1.244 . . . . 0.0 109.988 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -40.02 95.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.709 1.603 . . . . 0.0 112.006 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -54.11 -49.73 68.46 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.362 1.865 . . . . 0.0 112.18 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.46 -43.53 79.65 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.603 -1.31 . . . . 0.0 113.588 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.83 -52.09 64.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 120.717 -1.24 . . . . 0.0 112.261 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -35.4 80.31 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.815 1.246 . . . . 0.0 112.74 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.63 -58.41 8.46 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.854 -1.154 . . . . 0.0 111.529 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.06 35.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -166.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -74.9 72.18 2.07 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 123.982 1.849 . . . . 0.0 112.612 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -88.76 -6.47 57.39 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.132 1.373 . . . . 0.0 110.797 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.69 -43.45 97.71 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.895 1.278 . . . . 0.0 110.636 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.33 39.46 4.23 Favored Glycine 0 C--N 1.359 1.821 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -107.55 -73.96 0.67 Allowed 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.761 1.625 . . . . 0.0 109.62 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 147.34 -44.84 0.79 Allowed Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -126.12 139.93 52.98 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 122.946 1.355 . . . . 0.0 111.675 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.3 t -81.15 130.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-O 122.582 1.182 . . . . 0.0 112.808 -147.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 84.1 p -76.18 162.3 28.09 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 123.63 1.681 . . . . 0.0 115.066 -170.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.55 -50.65 72.69 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 128.236 2.614 . . . . 0.0 109.67 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -57.03 -47.3 81.22 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.774 1.23 . . . . 0.0 112.915 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.0 -28.93 55.25 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.007 1.276 . . . . 0.0 112.824 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.34 -48.62 79.0 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.23 -0.919 . . . . 0.0 111.65 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.99 -39.37 89.4 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.089 -1.007 . . . . 0.0 111.058 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -57.73 -54.67 44.31 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.067 0.947 . . . . 0.0 113.527 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.89 -36.26 74.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 120.346 1.43 . . . . 0.0 113.204 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 1.4 mmt -73.02 -33.7 65.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.118 -0.989 . . . . 0.0 111.581 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -72.61 -40.5 66.44 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.943 -1.098 . . . . 0.0 112.807 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -58.46 -67.25 0.37 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.124 1.369 . . . . 0.0 112.227 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . 0.291 54.5 m 18.64 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.809 3.244 . . . . 0.0 116.155 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 10.3 t 62.84 10.07 4.06 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 36.5 tp -110.06 -67.08 1.01 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.133 0.973 . . . . 0.0 108.468 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.264 1.821 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 N--CA 1.525 3.299 0 CA-C-O 112.343 -3.694 . . . . 0.0 103.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -169.23 172.57 7.24 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 122.059 2.209 . . . . 0.0 105.956 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -155.16 165.48 36.54 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 100.65 -3.833 . . . . 0.0 100.65 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -175.88 96.38 0.06 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.676 0.79 . . . . 0.0 111.104 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 18.1 m170 68.22 -148.53 0.14 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.721 1.208 . . . . 0.0 113.833 169.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . 0.265 1.1 p80 24.9 57.12 0.04 OUTLIER 'General case' 0 C--N 1.362 1.143 0 C-N-CA 128.938 2.895 . . . . 0.0 116.414 -166.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.2 100.48 10.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -165.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -124.61 90.73 3.3 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.397 -0.814 . . . . 0.0 110.812 -159.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 48.2 m -80.02 62.43 4.22 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.45 -1.406 . . . . 0.0 112.786 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.78 161.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 13.2 tp -95.37 -28.37 14.99 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.063 -1.023 . . . . 0.0 112.764 -171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -67.03 -26.76 66.93 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.161 -1.587 . . . . 0.0 112.23 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -41.17 -56.13 2.45 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.75 2.42 . . . . 0.0 112.801 161.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.93 -46.19 25.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 121.339 -0.85 . . . . 0.0 111.455 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.73 -48.65 79.74 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.86 -34.11 62.21 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.869 -1.144 . . . . 0.0 111.674 -173.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.99 -22.81 63.1 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 121.326 0.584 . . . . 0.0 112.278 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -78.96 -52.67 7.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 123.937 0.895 . . . . 0.0 110.796 173.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.88 -34.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.261 1.702 0 O-C-N 120.993 -1.067 . . . . 0.0 112.995 -157.239 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.52 3.064 0 CA-C-O 121.191 0.52 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.17 142.46 55.7 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -133.71 135.29 43.92 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.559 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttt -153.62 160.12 42.32 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 100.503 -3.888 . . . . 0.0 100.503 167.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -155.35 52.98 0.61 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.601 1.092 . . . . 0.0 110.079 -171.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -103.51 -72.22 0.7 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -4.59 13.32 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 120.353 -1.467 . . . . 0.0 109.349 175.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -29.11 70.48 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 129.546 3.138 . . . . 0.0 113.444 -172.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.7 p -45.69 -48.93 14.99 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 126.452 1.901 . . . . 0.0 116.017 -170.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.21 -46.28 77.78 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.014 -1.054 . . . . 0.0 112.813 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -73.19 -34.88 66.23 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.331 -0.856 . . . . 0.0 111.049 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -54.13 -42.29 69.33 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.981 2.112 . . . . 0.0 113.563 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.96 -44.56 97.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 120.319 -1.488 . . . . 0.0 111.494 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -38.6 78.54 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.73 -1.231 . . . . 0.0 111.992 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -57.87 -49.62 76.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 126.407 1.883 . . . . 0.0 111.655 169.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.13 80.51 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.525 1.13 . . . . 0.0 112.336 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -51.56 -49.82 61.28 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.072 1.349 . . . . 0.0 113.149 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -69.39 -23.36 63.71 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.731 1.212 . . . . 0.0 113.962 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.28 -19.94 45.56 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.166 -1.584 . . . . 0.0 113.235 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.04 -58.84 3.03 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.36 -1.462 . . . . 0.0 108.55 162.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 118' ' ' THR . 54.2 t0 -91.57 92.14 8.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.13 -0.981 . . . . 0.0 111.811 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 54.1 m-20 -76.81 -27.9 55.37 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.918 0.487 . . . . 0.0 112.057 166.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.21 -52.21 13.1 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.23 1.012 . . . . 0.0 111.204 -162.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -103.51 -47.36 4.29 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 123.105 1.431 . . . . 0.0 107.677 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 114' ' ' ASP 0.311 18.8 p 80.48 38.69 0.09 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 127.731 2.412 . . . . 0.0 109.475 -174.276 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.3 -19.41 0.04 OUTLIER Glycine 0 C--N 1.349 1.254 0 C-N-CA 125.156 1.36 . . . . 0.0 114.123 -168.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -144.19 131.46 20.77 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.832 1.816 . . . . 0.0 111.356 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 94.3 mt -89.36 97.06 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 106.559 165.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m -100.95 -171.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -55.3 -55.79 27.45 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.245 1.418 . . . . 0.0 112.558 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -52.91 -45.98 67.83 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.34 2.256 . . . . 0.0 112.635 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -47.11 61.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 127.95 2.5 . . . . 0.0 109.429 -176.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.47 -45.0 92.88 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.279 -1.513 . . . . 0.0 112.243 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 9.6 3.68 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.409 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 73.6 mtt-85 -77.28 -59.0 2.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.32 -1.488 . . . . 0.0 108.577 160.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -34.72 68.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 121.745 0.783 . . . . 0.0 111.538 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.19 63.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 114.147 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.55 -47.17 15.97 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.96 169.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.9 -39.73 86.36 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-N 120.619 1.554 . . . . 0.0 113.095 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.54 -14.51 59.65 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.997 -1.064 . . . . 0.0 112.616 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.39 -2.68 86.59 Favored Glycine 0 C--N 1.35 1.319 0 O-C-N 121.048 -1.033 . . . . 0.0 113.533 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.79 -37.34 70.45 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 111.813 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 70.06 -67.95 0.22 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.903 1.681 . . . . 0.0 113.082 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp 66.9 157.74 0.12 Allowed 'General case' 0 C--N 1.352 0.701 0 C-N-CA 127.995 2.518 . . . . 0.0 114.211 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 75.9 p -84.0 163.7 19.78 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.62 -1.3 . . . . 0.0 111.251 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.3 -39.63 93.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.507 1.923 . . . . 0.0 111.792 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.12 -52.35 64.64 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.2 1.0 . . . . 0.0 112.383 168.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.02 -47.1 87.24 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.224 -0.922 . . . . 0.0 113.086 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.0 -44.96 79.16 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 121.174 -0.954 . . . . 0.0 112.103 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -65.81 -48.88 70.22 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.534 -0.729 . . . . 0.0 112.482 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -54.86 -42.62 72.25 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.445 1.498 . . . . 0.0 113.666 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.6 mtp -61.15 -32.9 72.61 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.44 -49.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.234 -1.541 . . . . 0.0 110.191 172.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.84 -35.42 70.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.714 1.606 . . . . 0.0 112.644 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.33 -52.2 65.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.949 1.7 . . . . 0.0 113.5 172.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.84 -32.23 40.58 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -160.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -76.51 118.53 19.27 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.276 1.036 . . . . 0.0 109.393 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.41 6.75 13.69 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.412 1.085 . . . . 0.0 108.293 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -125.61 -42.94 1.91 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -148.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 111.97 59.23 0.45 Allowed Glycine 0 C--N 1.352 1.456 0 C-N-CA 123.988 0.804 . . . . 0.0 112.266 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.34 -49.64 2.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.476 1.11 . . . . 0.0 108.04 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 116.29 -32.87 5.4 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.949 1.262 . . . . 0.0 110.035 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -125.48 179.5 5.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.39 110.37 31.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.178 -1.577 . . . . 0.0 110.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.4 p -88.59 -178.64 5.87 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.171 -1.581 . . . . 0.0 111.452 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.11 -36.74 80.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.385 -1.447 . . . . 0.0 112.713 -172.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.637 0.775 . . . . 0.0 111.723 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.51 -47.63 83.1 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.38 1.472 . . . . 0.0 110.245 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.23 -49.53 77.26 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.678 1.191 . . . . 0.0 112.336 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.1 mt -57.15 -47.16 81.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.791 -1.193 . . . . 0.0 112.687 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -55.15 -55.41 31.44 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.347 1.859 . . . . 0.0 112.716 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.4 pt -67.45 -36.83 77.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.026 -1.046 . . . . 0.0 113.212 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 72.0 mtp -69.34 -43.56 73.41 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.633 -1.292 . . . . 0.0 111.868 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.08 -35.52 80.0 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.01 -1.056 . . . . 0.0 112.457 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -53.52 -40.41 65.42 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.264 1.026 . . . . 0.0 112.509 170.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 26.9 m -80.17 64.69 5.07 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 119.958 -1.714 . . . . 0.0 111.254 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 75.7 m -115.72 52.67 0.88 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.944 2.098 . . . . 0.0 106.917 173.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 16.2 tp 74.37 51.11 0.1 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 110.87 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 C--O 1.266 1.973 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -175.303 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 643' ' ' ASP . 69.3 ttt180 . . . . . 0 N--CA 1.513 2.704 0 CA-C-O 119.768 -0.158 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -69.92 -72.82 0.18 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 129.95 3.3 . . . . 0.0 110.351 3.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 641' ' ' ARG . 4.8 p-10 -68.82 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.873 1.269 . . . . 0.0 110.076 165.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -138.94 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.958 1.303 . . . . 0.0 111.666 -167.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -160.61 65.46 0.32 Allowed 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.807 -1.183 . . . . 0.0 107.897 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -117.6 80.53 1.52 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.236 1.014 . . . . 0.0 112.066 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -131.77 -87.72 0.46 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 129.583 3.153 . . . . 0.0 111.03 -3.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.06 -157.45 0.45 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.062 -1.024 . . . . 0.0 113.02 -164.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 16.7 m -74.56 56.35 0.68 Allowed 'General case' 0 C--N 1.353 0.733 0 O-C-N 119.781 -1.824 . . . . 0.0 114.806 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 36.0 m -76.61 32.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.347 0.498 0 C-N-CA 127.945 2.498 . . . . 0.0 113.745 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.15 -26.65 15.39 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 128.234 2.614 . . . . 0.0 107.619 174.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -36.29 -60.37 0.57 Allowed 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.927 2.891 . . . . 0.0 115.119 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -37.42 -43.91 0.6 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 128.827 2.851 . . . . 0.0 115.562 170.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.17 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.404 -1.435 . . . . 0.0 112.204 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.83 -53.02 6.85 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.232 1.015 . . . . 0.0 110.195 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.85 -37.49 79.14 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.858 1.263 . . . . 0.0 113.35 -170.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -97.43 14.59 25.82 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.794 1.179 . . . . 0.0 111.768 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -85.9 -55.01 4.16 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 155.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.8 -33.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.263 1.807 0 O-C-N 121.091 -1.006 . . . . 0.0 110.416 -178.122 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.917 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 70.35 -68.34 0.21 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.486 1.514 . . . . 0.0 109.721 -164.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -100.72 152.23 20.72 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 172.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -165.94 -56.67 0.03 OUTLIER 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -105.49 -160.53 0.76 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 150.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -106.9 0.38 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.938 1.244 . . . . 0.0 111.595 -176.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -47.94 6.36 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 5.33 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.362 1.136 0 C-N-CA 130.11 3.364 . . . . 0.0 118.476 172.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -41.96 -28.48 0.17 Allowed 'General case' 0 N--CA 1.447 -0.6 1 C-N-CA 132.637 4.375 . . . . 0.0 114.667 173.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -55.14 -42.45 73.05 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 119.832 -1.792 . . . . 0.0 112.389 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.81 -41.22 71.87 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.635 -0.665 . . . . 0.0 110.955 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -56.1 -48.39 76.23 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.849 0.86 . . . . 0.0 112.26 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -66.13 -39.42 84.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.111 1.364 . . . . 0.0 111.23 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -45.47 92.67 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.691 -1.255 . . . . 0.0 112.922 170.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -49.5 77.44 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.694 -1.254 . . . . 0.0 111.64 171.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.7 76.07 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.597 1.559 . . . . 0.0 112.976 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.79 -48.63 72.48 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.888 1.675 . . . . 0.0 112.278 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.83 -34.13 69.05 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.541 -1.349 . . . . 0.0 113.145 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.59 -34.35 78.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.537 -1.352 . . . . 0.0 112.763 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.83 -56.45 21.68 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.882 -1.136 . . . . 0.0 111.654 159.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -72.1 70.38 0.79 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.325 1.535 . . . . 0.0 114.905 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.26 -34.69 63.68 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.766 2.826 . . . . 0.0 109.744 170.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 8.2 t70 -62.68 -38.73 91.51 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 120.987 -1.071 . . . . 0.0 110.072 175.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.289 8.7 mt-10 74.74 57.17 0.07 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.372 1.869 . . . . 0.0 108.037 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -103.19 -19.21 14.59 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.664 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.17 -3.56 55.07 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 124.667 1.127 . . . . 0.0 111.64 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -143.5 156.68 44.69 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.528 1.131 . . . . 0.0 109.077 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.7 mt -83.14 85.82 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-O 124.502 2.096 . . . . 0.0 107.341 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 t -70.59 159.09 34.99 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 114.44 -1.255 . . . . 0.0 112.613 173.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.35 -36.09 41.37 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 125.0 1.32 . . . . 0.0 112.564 160.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -56.23 -48.88 75.61 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.961 1.704 . . . . 0.0 111.182 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -72.72 -40.56 66.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.009 1.723 . . . . 0.0 110.782 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -54.17 44.8 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 125.637 1.575 . . . . 0.0 112.377 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -24.59 59.59 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 11.3 tpt180 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.376 0.671 . . . . 0.0 110.071 162.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.59 -43.94 55.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 124.649 1.179 . . . . 0.0 113.785 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.23 64.05 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.45 -31.37 42.47 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.166 -0.959 . . . . 0.0 113.372 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 54.7 mm-40 -61.92 -36.07 80.25 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.209 1.004 . . . . 0.0 112.881 171.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.9 -46.55 35.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.959 -1.088 . . . . 0.0 110.6 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.06 9.91 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.46 141.64 28.54 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 122.502 1.144 . . . . 0.0 110.641 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.708 -1.245 . . . . 0.0 114.096 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.44 HD23 ' H ' ' A' ' 137' ' ' LEU . 1.6 pt? -91.22 144.47 25.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 122.38 1.086 . . . . 0.0 110.207 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.86 150.32 21.11 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.211 1.404 . . . . 0.0 110.017 -166.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -35.96 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.247 1.819 . . . . 0.0 115.419 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.06 -42.63 94.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.69 1.596 . . . . 0.0 112.94 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.5 -39.69 85.18 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.488 1.515 . . . . 0.0 110.338 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.63 -40.35 95.31 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.441 -1.412 . . . . 0.0 111.724 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -40.58 98.11 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.03 -1.043 . . . . 0.0 111.541 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.62 -49.33 65.31 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.085 1.354 . . . . 0.0 112.603 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.6 mtp -57.41 -39.78 76.89 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.072 -1.018 . . . . 0.0 113.368 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.87 -47.82 77.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.531 -1.356 . . . . 0.0 111.498 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.181 1.393 . . . . 0.0 111.826 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.35 -57.84 10.87 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 125.19 1.396 . . . . 0.0 112.506 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.06 -38.9 26.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -85.28 80.16 9.27 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 119.905 -1.747 . . . . 0.0 107.314 168.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 39.1 ptt85 -61.56 -26.87 68.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.654 2.382 . . . . 0.0 113.935 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 77.4 m-20 -92.01 -40.51 11.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 92.4 67.11 1.11 Allowed Glycine 0 C--N 1.357 1.698 0 O-C-N 121.739 -0.601 . . . . 0.0 113.446 164.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -154.93 -69.44 0.13 Allowed 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.969 -0.724 . . . . 0.0 111.536 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.89 10.28 74.39 Favored Glycine 0 CA--C 1.497 -1.073 0 C-N-CA 124.813 1.197 . . . . 0.0 114.287 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.544 8.2 pt-20 65.34 -175.06 0.18 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.447 1.899 . . . . 0.0 113.289 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.09 106.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 124.419 2.057 . . . . 0.0 112.019 -149.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.4 m -94.51 160.54 14.6 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.138 -1.846 . . . . 0.0 112.024 -161.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' A' ' 159' ' ' GLU . 1.1 mp0 -37.86 -65.2 0.34 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 131.047 3.739 . . . . 0.0 113.844 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.75 -16.17 61.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.785 1.234 . . . . 0.0 113.591 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -84.84 -42.79 14.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 121.173 -0.954 . . . . 0.0 110.265 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.36 -39.15 75.38 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.571 1.149 . . . . 0.0 111.267 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.42 -25.35 68.24 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.28 -58.71 5.75 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.757 1.617 . . . . 0.0 110.894 168.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.16 -28.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.832 -0.542 . . . . 0.0 111.826 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 26.2 mmt -85.6 -52.15 6.0 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -121.64 18.37 11.19 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 120.226 -1.546 . . . . 0.0 113.564 -168.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -113.35 -56.32 2.42 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 120.398 -1.439 . . . . 0.0 108.729 161.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 3.3 m -78.37 71.61 4.85 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 122.49 1.138 . . . . 0.0 112.131 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 34.3 t -62.88 -1.07 0.78 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.222 2.209 . . . . 0.0 116.122 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -126.95 1.43 6.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.996 0.918 . . . . 0.0 111.291 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . 0.509 44.6 p90 . . . . . 0 C--O 1.265 1.896 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -163.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.517 ' N ' ' OD2' ' A' ' 116' ' ' ASP . 86.4 mtm180 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . 177.95 34.26 0.0 OUTLIER 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.197 1.399 . . . . 0.0 107.978 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.92 60.16 2.27 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 128.864 2.865 . . . . 0.0 111.985 -162.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 72.9 mt 73.18 -71.07 0.14 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.449 2.3 . . . . 0.0 111.185 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 16.7 m80 61.81 -104.92 0.17 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.147 1.779 . . . . 0.0 112.117 -175.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -148.13 169.55 19.76 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.66 113.01 24.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 121.547 0.689 . . . . 0.0 111.24 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.65 54.49 2.49 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.765 -1.209 . . . . 0.0 111.963 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 17.1 m -81.3 179.83 7.68 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.882 -1.136 . . . . 0.0 110.524 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . 0.405 14.6 m 55.26 21.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 126.791 2.037 . . . . 0.0 116.491 -175.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.46 15.66 15.36 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.978 1.711 . . . . 0.0 109.63 170.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -62.3 -31.59 72.21 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.338 1.855 . . . . 0.0 110.939 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -40.14 -54.6 2.27 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 127.33 2.252 . . . . 0.0 113.524 163.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -83.5 -44.14 15.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 121.722 -0.611 . . . . 0.0 111.264 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.1 -47.7 70.4 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.793 -1.192 . . . . 0.0 113.482 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -72.98 -39.44 66.09 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.147 -0.971 . . . . 0.0 110.23 -172.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -76.03 -7.33 54.43 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -90.2 -48.94 6.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 123.757 0.823 . . . . 0.0 109.095 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.63 -32.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.162 -1.586 . . . . 0.0 114.81 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.995 -1.478 . . . . 0.0 111.773 -178.751 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.53 3.528 0 CA-C-O 112.526 -3.607 . . . . 0.0 103.461 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.43 141.51 54.04 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 125.952 2.032 . . . . 0.0 111.972 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.28 137.89 7.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 102.599 -3.112 . . . . 0.0 102.599 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.0 tpt -92.3 151.9 20.07 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.96 1.255 . . . . 0.0 108.202 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.5 m -68.84 -42.81 76.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.388 -1.445 . . . . 0.0 111.463 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.15 -174.73 2.93 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.891 1.276 . . . . 0.0 111.475 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.47 15.5 mmmt 110.34 -160.81 0.0 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 130.777 3.631 . . . . 0.0 110.902 154.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -149.69 -157.15 0.79 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -159.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.2 t -49.71 -34.99 20.38 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.523 2.729 . . . . 0.0 113.632 -174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.74 -34.79 76.45 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.781 -1.824 . . . . 0.0 113.462 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.95 -31.82 63.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.296 -1.503 . . . . 0.0 111.375 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.37 -47.66 81.15 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.201 -0.937 . . . . 0.0 111.228 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.11 -44.95 92.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.594 1.558 . . . . 0.0 111.475 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.87 -40.24 96.91 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.317 -1.489 . . . . 0.0 113.584 172.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.31 -47.04 87.71 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.568 -1.332 . . . . 0.0 110.614 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.08 79.19 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -54.09 -46.29 72.02 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -70.48 -18.77 62.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.13 1.529 . . . . 0.0 115.13 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 -29.8 42.53 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.559 -1.963 . . . . 0.0 110.67 171.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.63 -69.1 0.53 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 123.525 0.73 . . . . 0.0 110.131 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.26 94.46 5.08 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.745 -1.222 . . . . 0.0 109.173 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -23.55 -71.73 0.02 OUTLIER 'General case' 0 C--N 1.364 1.218 0 C-N-CA 128.554 2.742 . . . . 0.0 113.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.89 46.79 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 154.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.84 -38.54 11.69 Favored 'General case' 0 C--N 1.36 1.046 0 O-C-N 121.511 -0.743 . . . . 0.0 112.276 -166.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -33.97 4.64 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 171.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.55 14.24 66.11 Favored Glycine 0 C--N 1.356 1.69 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -140.32 132.66 28.34 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 80.4 mt -73.94 108.09 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 O-C-N 119.674 -1.891 . . . . 0.0 110.42 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t -86.99 168.9 12.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.656 1.582 . . . . 0.0 111.774 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -57.5 -49.04 77.62 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.696 1.598 . . . . 0.0 110.826 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -56.19 -41.8 76.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.736 1.614 . . . . 0.0 112.616 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -88.41 -26.7 22.01 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.675 0.79 . . . . 0.0 111.846 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.89 -36.93 84.96 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.649 -1.907 . . . . 0.0 111.645 160.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -69.6 -18.03 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 119.198 -2.189 . . . . 0.0 114.275 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -64.37 -48.82 74.02 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.222 -1.549 . . . . 0.0 112.263 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.511 HG23 HD23 ' B' ' 651' ' ' LEU . 2.1 p -60.82 -37.76 77.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.887 1.221 . . . . 0.0 111.838 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.92 -42.81 65.75 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 168.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -82.19 -24.52 34.9 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.04 -1.663 . . . . 0.0 113.877 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -57.02 -45.91 82.73 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 127.012 2.125 . . . . 0.0 110.775 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.31 -41.98 55.64 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.71 1.204 . . . . 0.0 111.637 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.64 37.63 2.75 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 121.244 -0.91 . . . . 0.0 111.02 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -93.16 -158.46 0.61 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.546 1.165 . . . . 0.0 110.685 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -125.7 -81.4 0.62 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.175 -1.578 . . . . 0.0 107.621 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.5 mp 72.01 146.24 0.07 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.809 2.044 . . . . 0.0 113.759 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.2 p -92.18 172.69 8.26 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.784 -1.197 . . . . 0.0 108.256 167.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -68.99 -33.52 73.81 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.133 1.773 . . . . 0.0 110.77 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.42 -59.03 2.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 129.185 2.994 . . . . 0.0 112.375 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -54.72 -54.54 40.51 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.308 1.843 . . . . 0.0 112.412 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.18 -46.12 91.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 121.011 -1.055 . . . . 0.0 111.677 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.45 -53.12 59.5 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.356 -0.84 . . . . 0.0 112.345 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.78 -36.13 82.89 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.742 -1.224 . . . . 0.0 112.701 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.4 mtm -57.79 -46.13 85.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 169.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.3 -54.66 30.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 O-C-N 121.405 -0.809 . . . . 0.0 111.693 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -58.17 -33.0 68.75 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.946 1.298 . . . . 0.0 113.46 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.1 -22.7 41.89 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.599 -1.313 . . . . 0.0 112.539 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.2 -70.72 0.35 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.1 105.93 16.19 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.341 1.428 . . . . 0.0 112.191 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -70.73 -47.73 58.19 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -155.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.56 46.45 2.64 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -98.33 -108.77 2.79 Favored Glycine 0 C--N 1.358 1.801 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -163.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -142.17 -47.32 0.35 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 122.293 -0.533 . . . . 0.0 109.837 -155.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.79 -37.35 2.61 Favored Glycine 0 CA--C 1.493 -1.314 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 -166.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.76 146.82 34.31 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 123.187 1.47 . . . . 0.0 108.846 167.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.4 t -92.58 108.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 120.727 -1.233 . . . . 0.0 111.444 -161.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 p -70.99 176.17 4.57 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.25 -1.531 . . . . 0.0 113.374 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.31 69.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.963 1.705 . . . . 0.0 112.206 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -57.35 -49.8 75.01 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 125.208 1.403 . . . . 0.0 112.773 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.46 -29.64 52.89 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.103 0.561 . . . . 0.0 111.233 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -58.14 -50.09 74.71 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.551 1.141 . . . . 0.0 111.173 163.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.73 -39.54 89.02 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.874 -1.141 . . . . 0.0 113.259 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -60.49 -50.51 73.26 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.349 -1.469 . . . . 0.0 112.001 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.429 -0.794 . . . . 0.0 112.347 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 23.7 mmt -73.46 -30.84 63.44 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.373 -1.454 . . . . 0.0 112.597 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -74.06 -20.89 60.14 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.541 -1.349 . . . . 0.0 113.287 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -55.17 -59.83 4.23 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 120.843 -1.161 . . . . 0.0 111.806 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 4.1 m -81.34 60.24 4.33 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 123.468 1.604 . . . . 0.0 110.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 34.4 t -101.76 25.09 8.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.858 1.663 . . . . 0.0 108.377 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 83.92 99.18 0.04 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.553 2.741 . . . . 0.0 107.105 -163.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 C--O 1.259 1.587 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -175.599 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 . . . . . 0 N--CA 1.524 3.226 0 CA-C-O 112.702 -3.523 . . . . 0.0 103.603 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -150.29 -54.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.06 2.1 . . . . 0.0 106.288 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.66 138.56 58.32 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 129.899 3.28 . . . . 0.0 113.583 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 3.8 pp -162.11 158.57 24.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -160.33 148.5 16.62 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -158.49 166.04 33.14 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 102.04 -3.318 . . . . 0.0 102.04 172.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -117.78 -29.69 5.63 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.002 0.819 . . . . 0.0 109.443 164.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . 0.273 41.0 t-80 82.21 81.87 0.03 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 128.806 2.842 . . . . 0.0 109.832 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 649' ' ' SER . . . . . 0.5 ' HA ' ' H ' ' B' ' 651' ' ' LEU 0.271 6.9 p 76.91 175.7 0.19 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.61 0.764 . . . . 0.0 111.601 175.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 650' ' ' VAL . . . . . 0.412 ' HA ' ' HB2' ' B' ' 649' ' ' SER . 26.5 m -82.69 34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 2 C-N-CA 133.83 4.852 . . . . 0.0 111.746 -3.511 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 651' ' ' LEU . . . . . 0.511 HD23 HG23 ' A' ' 129' ' ' VAL . 14.7 tp -65.59 -9.13 24.1 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 127.575 2.35 . . . . 0.0 114.741 -174.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.1 -26.89 68.41 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 125.057 1.343 . . . . 0.0 110.604 169.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -56.8 -41.05 77.04 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.922 -1.111 . . . . 0.0 112.349 167.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.17 -54.5 8.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.096 -1.002 . . . . 0.0 110.632 173.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.56 -43.68 98.42 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.11 -38.16 72.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.621 -1.299 . . . . 0.0 111.18 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.28 -18.57 63.12 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.093 0.861 . . . . 0.0 113.11 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -71.11 -51.99 21.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.229 1.011 . . . . 0.0 109.527 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.6 p -83.46 -36.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.715 -173.762 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.517 2.906 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.96 57.43 3.48 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.623 -1.298 . . . . 0.0 112.115 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -167.7 94.43 0.42 Allowed 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 54.8 ttm 70.49 118.1 0.04 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.917 1.687 . . . . 0.0 114.224 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -171.91 164.57 6.36 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 174.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.99 155.09 19.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -161.33 18.46 0.11 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.065 1.412 . . . . 0.0 111.472 167.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -20.43 62.87 Favored 'General case' 0 N--CA 1.436 -1.127 1 C-N-CA 131.922 4.089 . . . . 0.0 112.12 -171.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.4 p -55.27 -25.51 34.37 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.395 1.478 . . . . 0.0 113.144 167.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -69.65 -28.03 65.55 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.466 -2.021 . . . . 0.0 114.137 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.09 -30.66 60.97 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.346 -1.471 . . . . 0.0 110.774 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -59.67 -43.5 93.96 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 123.967 0.907 . . . . 0.0 111.577 170.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.55 -47.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 112.213 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.49 -1.381 . . . . 0.0 112.632 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -53.75 51.1 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.342 1.457 . . . . 0.0 111.54 170.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.26 73.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.43 1.892 . . . . 0.0 113.798 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.34 -43.86 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.693 1.197 . . . . 0.0 112.143 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -18.81 54.98 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 176.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -75.2 -39.12 60.42 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.779 -1.826 . . . . 0.0 110.053 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.466 ' HA ' HG21 ' A' ' 129' ' ' VAL . 34.7 m-85 -61.97 -65.86 0.63 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.412 1.085 . . . . 0.0 112.476 167.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -85.31 80.25 9.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.581 1.181 . . . . 0.0 109.444 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.427 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 21.6 t70 -96.36 18.42 13.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.188 1.47 . . . . 0.0 109.685 174.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.01 3.66 30.83 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.044 1.338 . . . . 0.0 108.371 172.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 55.73 44.51 26.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.565 1.946 . . . . 0.0 115.066 169.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.1 t -111.84 -25.54 9.4 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 110.676 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 110.76 -2.06 28.92 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 121.577 -0.702 . . . . 0.0 113.186 168.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -139.06 149.8 45.01 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 103.0 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.808 -1.183 . . . . 0.0 108.758 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -68.92 161.15 29.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.652 0.739 . . . . 0.0 111.513 170.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -53.04 -46.15 68.34 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.899 1.28 . . . . 0.0 111.992 171.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -54.83 -41.77 71.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.053 1.341 . . . . 0.0 113.309 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.91 -34.61 33.33 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.893 1.277 . . . . 0.0 108.348 -170.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.94 -53.81 54.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.541 1.136 . . . . 0.0 111.684 166.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.299 32.9 pttt -72.58 -20.85 61.23 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.427 ' NH2' ' OD2' ' A' ' 115' ' ' ASP . 76.1 ttt180 -54.33 -51.98 63.0 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 110.99 163.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 113' ' ' PHE . 44.0 t -55.51 -46.94 79.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.152 -0.968 . . . . 0.0 112.331 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.45 69.46 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -75.62 -22.38 56.9 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.318 -1.489 . . . . 0.0 113.214 176.342 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.403 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -72.63 -39.7 67.03 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.693 1.197 . . . . 0.0 112.226 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.63 -46.03 64.07 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.932 -1.105 . . . . 0.0 110.857 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.63 68.51 0.66 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -72.85 174.78 7.24 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.98 60.92 0.85 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 159.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.426 2.6 pt? -112.13 -53.65 2.69 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.053 171.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 139' ' ' ASP 0.313 1.2 m 106.96 160.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.971 2.908 . . . . 0.0 110.888 177.773 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.584 ' H ' HG22 ' A' ' 138' ' ' THR . 0.8 OUTLIER -48.75 -39.68 25.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 129.346 3.058 . . . . 0.0 116.793 -177.39 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.89 -46.32 53.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.577 1.179 . . . . 0.0 110.916 -168.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.2 pm0 -71.75 -29.32 64.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.429 -1.419 . . . . 0.0 111.73 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.39 -37.13 86.43 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.357 -2.089 . . . . 0.0 113.25 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -64.31 -38.59 91.59 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.422 -1.424 . . . . 0.0 110.88 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -54.43 -43.64 71.76 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.384 -0.822 . . . . 0.0 112.887 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mtp -57.11 -41.83 79.73 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.82 -1.175 . . . . 0.0 113.455 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.79 -50.14 80.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.481 -1.387 . . . . 0.0 111.96 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -39.49 92.87 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 112.504 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.01 -55.11 38.08 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.735 1.614 . . . . 0.0 112.091 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.44 50.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -82.89 67.04 8.8 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.303 -1.498 . . . . 0.0 109.728 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.402 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 9.8 mtp-105 -53.83 -49.46 68.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.355 2.262 . . . . 0.0 114.065 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.402 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 62.1 m-20 -94.09 -19.97 20.34 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.085 0.554 . . . . 0.0 110.628 -168.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.07 63.55 0.99 Allowed Glycine 0 C--N 1.358 1.773 0 O-C-N 121.242 -0.911 . . . . 0.0 111.605 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.13 -38.26 36.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.392 1.877 . . . . 0.0 108.27 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 134.85 -37.29 1.96 Allowed Glycine 0 C--N 1.356 1.678 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -148.42 173.12 13.42 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.68 110.71 18.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-O 123.268 1.509 . . . . 0.0 109.209 -172.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.1 p -100.98 177.31 4.99 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -151.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.87 -51.5 63.45 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 127.818 2.447 . . . . 0.0 110.734 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.37 -49.99 67.23 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.142 0.977 . . . . 0.0 112.285 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.89 -32.06 61.74 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 120.295 -1.503 . . . . 0.0 112.753 -169.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.97 -44.22 96.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.603 -0.685 . . . . 0.0 110.943 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.41 -28.62 68.07 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.846 -1.159 . . . . 0.0 113.773 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -62.24 -63.25 1.3 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.194 1.361 . . . . 0.0 111.177 165.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.15 -22.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 120.525 -1.359 . . . . 0.0 113.474 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.8 mmt -100.62 10.78 40.72 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.473 1.109 . . . . 0.0 113.411 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . 0.281 0.2 OUTLIER -69.71 -55.44 9.94 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 119.916 -1.74 . . . . 0.0 109.2 168.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER 48.44 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.618 2.767 . . . . 0.0 116.609 -169.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.3 t -39.98 142.87 0.31 Allowed 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.287 3.435 . . . . 0.0 118.095 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.4 m -74.59 -22.84 58.76 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.726 1.61 . . . . 0.0 111.329 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 45.7 tp -121.32 89.06 3.05 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.262 1.742 0 C-N-CA 126.932 2.093 . . . . 0.0 112.014 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.515 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 16.5 tpt180 . . . . . 0 N--CA 1.511 2.577 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -72.31 72.98 0.96 Allowed 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.38 -1.45 . . . . 0.0 109.19 157.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.6 OUTLIER -108.53 -62.66 1.43 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.492 1.517 . . . . 0.0 108.764 -170.22 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -62.06 -31.36 71.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -102.88 176.81 5.03 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 123.168 1.461 . . . . 0.0 112.18 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -70.92 72.15 0.55 Allowed 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -175.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -50.48 134.05 24.17 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.836 1.655 . . . . 0.0 114.437 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.21 -60.27 2.95 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.054 -2.904 . . . . 0.0 113.335 -13.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 3.0 p -147.83 160.59 42.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 131.538 3.935 . . . . 0.0 106.597 -7.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.31 -55.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -163.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 tp 71.21 -42.42 0.53 Allowed 'General case' 0 C--N 1.355 0.847 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -59.89 -41.4 91.55 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.349 -1.469 . . . . 0.0 110.467 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -30.03 -59.62 0.17 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 130.109 3.364 . . . . 0.0 114.896 156.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.43 -36.99 52.62 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.334 1.054 . . . . 0.0 111.172 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.63 -46.84 88.78 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.626 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -70.85 -37.86 73.15 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.206 -0.934 . . . . 0.0 112.863 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.17 -15.53 62.53 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.224 -1.547 . . . . 0.0 113.745 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -85.56 -63.84 1.26 Allowed 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 124.888 1.275 . . . . 0.0 109.944 163.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.93 -17.47 8.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -162.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.26 1.647 0 O-C-N 120.739 -1.226 . . . . 0.0 109.966 -177.002 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.568 ' N ' ' HG ' ' A' ' 98' ' ' SER . 12.9 t . . . . . 0 N--CA 1.504 2.26 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -42.69 47.77 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.465 2.306 . . . . 0.0 114.337 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -133.7 144.75 49.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 160.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' THR . 63.4 mtm 66.27 163.6 0.17 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.44 1.496 . . . . 0.0 114.414 -173.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.568 ' HG ' ' N ' ' A' ' 94' ' ' THR . 48.5 m -169.15 -175.63 2.34 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -70.01 120.9 16.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.903 0.881 . . . . 0.0 111.647 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -148.63 131.01 15.65 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -24.57 -70.86 0.03 OUTLIER 'General case' 0 C--N 1.35 0.63 0 C-N-CA 129.214 3.006 . . . . 0.0 117.462 178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.9 p -57.99 -56.98 14.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 124.832 1.253 . . . . 0.0 112.966 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -62.43 -37.81 87.27 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.794 -1.191 . . . . 0.0 112.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.38 -57.74 10.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.701 1.201 . . . . 0.0 110.715 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -59.5 -39.64 84.44 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -67.19 -43.58 88.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 O-C-N 120.468 -1.395 . . . . 0.0 111.515 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.66 -42.77 98.05 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.301 -1.499 . . . . 0.0 111.733 173.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -57.49 -49.22 76.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.235 1.414 . . . . 0.0 111.828 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.97 84.54 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 121.071 -1.018 . . . . 0.0 112.859 171.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.49 -48.13 77.81 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.353 1.061 . . . . 0.0 112.872 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.9 -27.76 61.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.714 -1.241 . . . . 0.0 113.195 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.165 -1.584 . . . . 0.0 111.982 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.405 ' CD2' HG11 ' A' ' 129' ' ' VAL . 5.0 m-85 -64.8 -58.14 7.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.154 -0.966 . . . . 0.0 111.246 162.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -74.29 54.04 0.54 Allowed 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.663 1.585 . . . . 0.0 112.058 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -54.81 -34.87 63.27 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.667 3.187 . . . . 0.0 110.42 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -81.06 -8.75 59.84 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 53.0 55.67 8.61 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.689 2.395 . . . . 0.0 114.044 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 t -111.38 -9.45 14.25 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.55 -20.03 52.04 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 120.389 -1.444 . . . . 0.0 113.465 167.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -138.91 135.43 34.43 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.0 mt -75.83 97.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 120.613 -1.304 . . . . 0.0 108.453 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m -67.23 167.48 12.15 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.055 1.742 . . . . 0.0 112.959 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.95 -50.18 67.04 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.954 1.302 . . . . 0.0 112.673 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -64.72 -36.83 85.55 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 121.052 -1.03 . . . . 0.0 112.526 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.69 -40.86 72.65 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 123.66 0.784 . . . . 0.0 110.394 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.34 -44.34 88.7 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.681 -1.262 . . . . 0.0 112.021 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -28.25 62.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.807 -1.183 . . . . 0.0 113.265 176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -56.84 -59.67 4.7 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.529 -1.357 . . . . 0.0 112.107 165.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.405 HG11 ' CD2' ' A' ' 113' ' ' PHE . 8.6 p -58.36 -39.15 73.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 120.443 -1.41 . . . . 0.0 112.38 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.59 75.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.72 -54.08 50.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.61 -1.306 . . . . 0.0 111.929 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -32.1 64.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 121.012 0.434 . . . . 0.0 111.615 -166.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.01 -48.06 63.97 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.065 1.346 . . . . 0.0 110.665 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.69 68.72 0.44 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -77.86 -167.61 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -175.21 37.77 0.01 OUTLIER 'General case' 0 C--N 1.351 0.67 0 C-N-CA 125.956 1.703 . . . . 0.0 108.079 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.5 -132.18 0.29 Allowed 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 53.9 m -166.12 160.48 16.33 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.18 -34.67 23.41 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 128.215 2.606 . . . . 0.0 114.758 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.46 -56.71 18.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.752 2.021 . . . . 0.0 111.958 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -53.43 -47.61 69.48 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.85 1.66 . . . . 0.0 112.763 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.65 -37.58 82.0 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.61 -1.307 . . . . 0.0 113.0 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.37 -39.32 85.68 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.396 -1.44 . . . . 0.0 112.014 172.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -66.66 -39.61 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.023 -1.048 . . . . 0.0 111.798 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.6 mtp -57.46 -46.77 83.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.826 -1.171 . . . . 0.0 113.176 167.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.8 mm -57.07 -48.26 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 O-C-N 120.146 -1.596 . . . . 0.0 112.389 170.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.412 ' OD1' ' NH2' ' A' ' 151' ' ' ARG . 8.3 t70 -57.03 -49.44 75.82 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.954 1.252 . . . . 0.0 111.492 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -38.4 -47.51 1.25 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.095 1.758 . . . . 0.0 113.482 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.11 -63.84 1.32 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 166.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -89.95 95.44 10.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.85 2.06 . . . . 0.0 110.385 -166.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.412 ' NH2' ' OD1' ' A' ' 147' ' ' ASP . 13.1 mmp_? -61.21 -49.42 77.22 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.051 1.74 . . . . 0.0 112.411 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.5 -44.83 93.01 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 127.429 2.291 . . . . 0.0 110.735 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.3 -21.52 37.17 Favored Glycine 0 C--N 1.357 1.704 0 O-C-N 121.466 -0.771 . . . . 0.0 112.311 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -96.75 -53.52 3.52 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 125.973 1.709 . . . . 0.0 109.983 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -80.25 52.03 4.24 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.189 1.376 . . . . 0.0 115.64 -167.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -9.45 171.95 0.0 OUTLIER 'General case' 0 C--N 1.352 0.713 1 C-N-CA 135.803 5.641 . . . . 0.0 121.483 174.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.8 t -92.4 103.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 O-C-N 117.059 -3.526 . . . . 0.0 113.537 -153.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 91.5 p -86.03 -178.83 6.64 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.671 -1.893 . . . . 0.0 111.322 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -63.97 -30.44 71.52 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -70.59 -41.39 72.41 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.862 -1.149 . . . . 0.0 111.925 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -66.34 -40.5 89.9 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.016 -1.053 . . . . 0.0 109.904 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.71 -52.25 66.31 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.089 1.755 . . . . 0.0 111.576 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.99 -47.54 64.86 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.564 -1.335 . . . . 0.0 112.436 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.71 -54.45 44.13 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 124.111 0.964 . . . . 0.0 113.26 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.44 -17.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 90.8 mmm -73.72 -45.93 49.16 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.586 -1.321 . . . . 0.0 110.619 167.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -67.87 -49.07 64.11 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.257 -0.902 . . . . 0.0 112.708 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . 0.365 0.2 OUTLIER 41.8 -97.49 0.02 OUTLIER 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.822 2.449 . . . . 0.0 115.436 -178.314 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 24.4 m -145.49 61.67 1.28 Allowed 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 119.463 -2.023 . . . . 0.0 106.462 155.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 22.8 t -87.73 36.75 0.77 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.046 -1.034 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -155.15 -64.37 0.12 Allowed 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--O 1.263 1.805 0 C-N-CA 127.775 2.43 . . . . 0.0 108.481 -170.733 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.505 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 87.9 mtm180 . . . . . 0 N--CA 1.511 2.61 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -69.62 -43.27 73.06 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 130.562 3.545 . . . . 0.0 113.611 5.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 4.0 m-20 71.23 -120.9 0.09 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.173 1.789 . . . . 0.0 111.158 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.71 143.8 51.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -81.35 61.89 5.03 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.404 -0.81 . . . . 0.0 112.818 -170.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 646' ' ' HIS . . . . . 0.437 ' CD2' ' HG3' ' B' ' 647' ' ' GLN . 18.6 t60 -128.36 161.73 28.76 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 176.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 647' ' ' GLN . . . . . 0.437 ' HG3' ' CD2' ' B' ' 646' ' ' HIS . 70.7 mt-30 47.81 54.7 9.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.122 2.169 . . . . 0.0 116.004 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -49.04 -46.51 44.32 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -170.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 8.1 t -85.05 -158.8 0.39 Allowed 'General case' 0 C--N 1.351 0.661 0 CA-C-O 121.918 0.866 . . . . 0.0 111.652 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.61 170.82 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 125.677 1.591 . . . . 0.0 108.772 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.9 tp 73.48 -52.73 0.7 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 126.175 1.79 . . . . 0.0 113.928 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.42 -36.19 73.22 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 125.526 1.53 . . . . 0.0 110.039 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -11.63 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 130.637 3.575 . . . . 0.0 115.396 152.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -90.32 -35.46 15.24 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.131 -174.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.8 -35.21 78.23 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.074 -1.016 . . . . 0.0 111.944 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -41.35 66.18 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 120.98 -1.075 . . . . 0.0 111.134 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.09 62.78 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.11 -1.618 . . . . 0.0 112.821 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.86 -60.82 2.04 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 124.014 0.926 . . . . 0.0 110.382 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.84 -36.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.256 1.419 0 O-C-N 120.792 -1.192 . . . . 0.0 113.704 -162.027 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.518 2.953 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -71.44 93.53 1.18 Allowed 'General case' 0 C--N 1.355 0.83 0 O-C-N 120.87 -1.144 . . . . 0.0 111.754 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -152.88 149.53 28.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.07 147.32 26.73 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m -172.59 163.38 5.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.43 105.97 16.16 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mmpm? -166.07 79.32 0.27 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.02 -140.24 0.3 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.596 0.712 . . . . 0.0 111.521 -156.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.9 p -57.36 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -148.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.42 -31.0 71.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.721 -1.237 . . . . 0.0 112.003 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.25 -38.57 78.51 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.848 -1.157 . . . . 0.0 112.145 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH2' ' B' ' 653' ' ' ARG . 7.9 tt0 -68.5 -35.29 77.3 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.486 -1.384 . . . . 0.0 111.577 172.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.7 -52.49 56.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 O-C-N 120.536 -1.352 . . . . 0.0 111.38 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.9 mt -57.34 -45.04 84.7 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.434 -1.416 . . . . 0.0 113.612 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -59.98 -45.11 93.77 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.919 -1.113 . . . . 0.0 112.317 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.3 91.03 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.904 1.282 . . . . 0.0 112.047 173.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.82 -45.58 74.44 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 121.083 -1.011 . . . . 0.0 112.096 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -68.53 -27.1 65.8 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.8 mt -69.79 -28.17 65.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.426 -1.421 . . . . 0.0 113.059 171.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -85.12 -46.08 11.46 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.438 -0.789 . . . . 0.0 110.797 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -89.88 71.95 7.55 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.732 -1.855 . . . . 0.0 111.335 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -40.41 86.64 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.894 1.678 . . . . 0.0 111.835 170.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.418 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 55.2 m-20 -80.1 -10.76 59.78 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.468 1.107 . . . . 0.0 111.221 -164.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 68.87 47.22 0.81 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.697 1.599 . . . . 0.0 111.9 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -97.99 -12.47 21.92 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.437 -0.789 . . . . 0.0 110.86 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.91 13.51 74.75 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 120.965 -1.085 . . . . 0.0 112.217 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -136.94 150.69 48.34 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 82.1 mt -101.07 100.67 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 160.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -81.55 179.39 7.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.249 1.023 . . . . 0.0 111.417 169.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -60.47 -36.14 77.55 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.546 -1.346 . . . . 0.0 111.372 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.15 -43.4 98.95 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.42 -1.425 . . . . 0.0 111.144 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -68.97 -38.66 79.5 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 111.786 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -57.58 -50.31 73.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.96 0.904 . . . . 0.0 111.286 167.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 ttmm -59.97 -39.52 85.93 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.871 -1.143 . . . . 0.0 113.961 174.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.418 ' NH2' ' OD2' ' A' ' 116' ' ' ASP . 28.7 mmt85 -49.62 -53.69 22.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.436 1.471 . . . . 0.0 112.647 173.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.14 -39.6 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 111.375 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -58.45 -37.24 75.04 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -17.51 49.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.008 1.276 . . . . 0.0 114.109 174.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -77.07 -34.18 57.04 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.545 -1.347 . . . . 0.0 110.781 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.22 -49.03 38.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.348 -0.845 . . . . 0.0 110.023 165.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.68 104.39 2.82 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.93 113.16 2.64 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -108.89 14.88 23.9 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -132.41 153.55 50.7 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 m -80.26 156.63 26.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.946 0.879 . . . . 0.0 111.008 -172.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.37 -33.53 63.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.513 2.325 . . . . 0.0 113.683 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.87 -39.31 58.75 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.101 2.16 . . . . 0.0 113.424 168.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -75.25 -40.81 58.54 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.854 -1.154 . . . . 0.0 110.456 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 126' ' ' LEU . 1.1 mm? -61.68 -40.57 95.45 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 120.722 -1.236 . . . . 0.0 111.589 172.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.36 -47.81 84.45 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.933 1.293 . . . . 0.0 112.636 170.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -56.44 -43.64 79.66 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.366 1.466 . . . . 0.0 112.492 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.7 mtp -54.84 -44.14 73.68 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.682 -1.261 . . . . 0.0 113.897 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.5 mm -62.79 -49.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.998 -1.064 . . . . 0.0 111.646 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.64 -43.1 97.78 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.187 0.995 . . . . 0.0 112.581 -174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -26.71 63.07 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.465 -1.397 . . . . 0.0 112.185 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.48 -59.67 3.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.8 -2.438 . . . . 0.0 113.214 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -69.49 97.44 1.0 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-O 123.384 1.564 . . . . 0.0 113.445 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -37.64 14.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 126.761 2.025 . . . . 0.0 107.71 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 -43.52 95.58 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.471 1.508 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.04 67.07 0.93 Allowed Glycine 0 C--N 1.353 1.509 0 O-C-N 121.421 -0.799 . . . . 0.0 112.171 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -105.43 -52.28 2.86 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.449 1.5 . . . . 0.0 107.527 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.71 -41.99 1.54 Allowed Glycine 0 CA--C 1.495 -1.188 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -115.13 158.74 21.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 122.658 1.218 . . . . 0.0 108.085 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.11 113.07 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 O-C-N 120.205 -1.559 . . . . 0.0 109.575 -167.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.2 p -84.85 163.46 19.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.342 1.057 . . . . 0.0 111.085 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 0.2 OUTLIER -68.49 -30.04 68.78 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.197 -1.564 . . . . 0.0 113.407 -169.472 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -59.09 -33.75 71.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.144 1.778 . . . . 0.0 113.869 170.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.72 -48.05 12.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.486 1.114 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -51.08 -49.41 60.72 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 125.898 1.679 . . . . 0.0 112.267 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -65.59 -48.93 70.67 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 120.575 -1.328 . . . . 0.0 112.496 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -70.11 -28.91 37.78 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 121.588 -0.695 . . . . 0.0 111.219 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 20.6 mmt -69.97 -47.47 62.14 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.491 -0.756 . . . . 0.0 112.168 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.011 1.324 . . . . 0.0 113.136 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -58.51 -72.69 0.09 Allowed 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.547 -0.72 . . . . 0.0 112.036 162.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.1 m 24.47 66.97 0.04 OUTLIER 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.41 2.284 . . . . 0.0 114.766 -160.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 95.1 p -97.56 18.66 14.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.354 1.062 . . . . 0.0 109.932 -169.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 35.4 tp 73.72 70.44 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 -141.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--O 1.264 1.846 0 C-N-CA 126.771 2.028 . . . . 0.0 112.991 -173.696 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.501 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 87.9 mtt-85 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -83.91 121.0 26.76 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.856 3.262 . . . . 0.0 110.204 -1.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.2 OUTLIER -163.08 167.56 22.14 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -173.632 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 90.2 mt -139.94 144.58 37.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -170.45 -173.05 1.36 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.046 -3.316 . . . . 0.0 102.046 173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -89.9 131.76 35.65 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.173 0.987 . . . . 0.0 108.711 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.48 -5.95 28.43 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -161.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . 0.269 68.4 m-70 83.1 157.64 0.12 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 126.605 1.962 . . . . 0.0 110.019 -165.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 1.9 m -145.89 166.87 24.7 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -156.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 26.4 m -102.79 -175.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 130.339 3.455 . . . . 0.0 111.982 5.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 15.9 tp 76.06 -56.25 0.58 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.073 1.749 . . . . 0.0 115.589 162.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -75.51 -6.85 52.27 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.824 -1.172 . . . . 0.0 112.668 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH2' ' OE1' ' A' ' 105' ' ' GLU . 12.1 mmt180 -56.29 -57.99 9.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.812 2.045 . . . . 0.0 110.73 161.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.76 -43.3 59.41 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.356 1.462 . . . . 0.0 110.698 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.79 -36.28 83.08 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 113.092 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -71.95 -41.22 68.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.654 -1.278 . . . . 0.0 112.253 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.78 -24.5 66.2 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.427 -0.796 . . . . 0.0 111.594 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -106.04 29.68 6.51 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 124.485 1.114 . . . . 0.0 111.454 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . 0.32 52.6 t 136.58 -51.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 128.43 2.692 . . . . 0.0 111.901 154.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.265 1.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -150.226 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . 0.338 70.7 mt-30 77.0 158.33 0.2 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.481 1.912 . . . . 0.0 110.285 -163.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -134.53 156.1 49.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -162.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.5 mtt -89.4 155.14 19.52 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m 179.02 79.91 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 121.136 -0.978 . . . . 0.0 109.289 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -117.65 -39.26 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.639 0.733 . . . . 0.0 109.283 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HD3' ' H ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -134.79 -94.49 0.28 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.484 ' H ' ' HD3' ' A' ' 100' ' ' LYS . 9.9 m-20 68.28 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.064 1.746 . . . . 0.0 115.712 149.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 t -49.66 -48.19 49.62 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.493 1.917 . . . . 0.0 115.083 -156.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -68.3 -37.28 80.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.739 -1.226 . . . . 0.0 113.014 -176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -82.19 -34.2 29.11 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.627 -1.296 . . . . 0.0 110.847 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH1' ' B' ' 653' ' ' ARG . 13.8 tp10 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.068 1.747 . . . . 0.0 111.736 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.93 -39.51 84.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 O-C-N 121.12 -0.987 . . . . 0.0 111.553 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.45 -44.71 92.9 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.396 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -58.79 -56.74 18.28 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.358 -0.839 . . . . 0.0 111.92 168.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.73 82.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.67 -39.98 88.39 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.635 -1.291 . . . . 0.0 109.996 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -33.38 74.5 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.88 -41.06 83.36 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.037 -1.039 . . . . 0.0 112.867 170.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.52 -51.0 13.98 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.853 -1.155 . . . . 0.0 113.173 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.14 99.09 6.82 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.932 -1.105 . . . . 0.0 110.504 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -68.61 -50.92 47.78 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.004 2.121 . . . . 0.0 112.287 -166.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -87.65 -4.55 58.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.62 1.568 . . . . 0.0 110.836 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.353 15.8 pt-20 49.43 57.44 6.5 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.321 2.648 . . . . 0.0 114.978 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -83.46 -14.13 53.19 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.302 -0.874 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.62 28.2 8.07 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -149.21 126.1 11.2 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.04 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.924 -1.735 . . . . 0.0 107.187 164.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.1 p -79.08 167.06 21.59 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.227 1.011 . . . . 0.0 111.575 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.03 -39.81 79.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.031 0.932 . . . . 0.0 111.35 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.87 1.268 . . . . 0.0 111.553 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -75.21 -30.31 60.57 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 121.562 0.696 . . . . 0.0 110.76 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -52.54 65.33 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.344 -1.472 . . . . 0.0 112.242 164.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.46 -35.61 76.29 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 119.918 -1.739 . . . . 0.0 113.059 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -56.09 26.28 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.88 1.272 . . . . 0.0 111.542 168.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.53 -34.35 69.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.247 -1.533 . . . . 0.0 112.692 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.16 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 120.569 -1.332 . . . . 0.0 113.39 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.83 -30.09 67.52 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.312 -1.493 . . . . 0.0 113.443 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.06 -38.61 82.64 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.196 0.907 . . . . 0.0 112.24 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -42.71 81.78 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.774 -1.204 . . . . 0.0 111.077 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.08 58.63 0.78 Allowed Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 153.38 43.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.06 63.14 1.6 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 168.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.81 -126.14 0.16 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.3 m -145.4 -108.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 101.546 -3.502 . . . . 0.0 101.546 156.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -132.59 -30.88 1.41 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 121.223 1.829 . . . . 0.0 111.394 167.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -52.03 -45.92 64.81 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 128.574 2.75 . . . . 0.0 112.601 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -54.2 -51.32 64.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.205 1.802 . . . . 0.0 113.551 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.2 -21.55 42.83 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 119.936 -1.727 . . . . 0.0 111.998 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -42.28 81.39 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.651 -1.28 . . . . 0.0 110.909 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.71 -47.31 77.07 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 111.04 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 98.7 mtp -50.53 -49.78 54.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 170.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.53 -54.68 28.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 124.304 1.041 . . . . 0.0 112.535 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.33 -36.28 82.5 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.783 0.833 . . . . 0.0 112.691 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.88 -40.38 91.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.833 -1.167 . . . . 0.0 110.809 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.77 20.89 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 120.755 -1.216 . . . . 0.0 112.866 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.64 45.87 0.42 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-O 123.572 1.653 . . . . 0.0 111.816 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 32.8 ttm105 -61.42 -32.31 72.27 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.641 1.976 . . . . 0.0 112.684 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -128.07 14.03 6.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.253 1.021 . . . . 0.0 110.497 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.8 -124.56 5.36 Favored Glycine 0 C--N 1.361 1.921 0 N-CA-C 117.43 1.732 . . . . 0.0 117.43 -155.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.21 42.78 0.94 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-O 122.169 0.985 . . . . 0.0 109.965 -165.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.62 -38.7 2.49 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 119.294 -2.128 . . . . 0.0 112.832 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -125.62 142.38 51.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 127.105 2.162 . . . . 0.0 106.379 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 126.82 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-O 122.036 0.922 . . . . 0.0 111.52 -155.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 p -76.34 168.66 19.66 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.808 1.243 . . . . 0.0 111.998 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.82 -39.46 94.27 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.03 -1.044 . . . . 0.0 113.256 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.83 -38.99 80.22 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.779 -1.201 . . . . 0.0 111.263 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.76 -39.37 80.29 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.623 -1.298 . . . . 0.0 110.271 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.5 -49.72 76.7 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.385 1.074 . . . . 0.0 112.148 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.59 -50.58 53.48 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.573 1.149 . . . . 0.0 113.478 170.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -55.78 -50.33 70.75 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.042 0.937 . . . . 0.0 113.457 176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.428 HD13 ' CG ' ' B' ' 658' ' ' TRP 0.295 2.0 pp -74.02 -29.21 24.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 178.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.93 66.53 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.679 -1.263 . . . . 0.0 111.744 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -69.05 -74.56 0.13 Allowed 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.554 169.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 49.78 -91.99 0.02 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.1 m -43.29 101.93 0.02 OUTLIER 'General case' 0 C--N 1.362 1.152 0 C-N-CA 128.398 2.679 . . . . 0.0 113.366 174.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 54.0 m -124.39 46.69 2.24 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -174.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 87.46 56.12 0.01 OUTLIER 'General case' 0 C--N 1.355 0.806 0 C-N-CA 128.154 2.581 . . . . 0.0 108.212 -169.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--O 1.261 1.688 0 CA-C-O 117.316 -1.326 . . . . 0.0 107.797 -178.097 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.519 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 89.5 mtt180 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 119.822 -0.132 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -84.39 75.09 10.27 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.639 -1.288 . . . . 0.0 109.323 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.5 OUTLIER -120.28 -73.64 0.64 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.607 1.163 . . . . 0.0 109.164 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 62.6 mt 66.41 71.68 0.39 Allowed 'General case' 0 C--N 1.349 0.585 0 C-N-CA 127.24 2.216 . . . . 0.0 112.29 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -129.63 -40.02 1.42 Allowed 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 118.009 -2.932 . . . . 0.0 111.149 4.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -66.76 88.22 0.14 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.679 1.591 . . . . 0.0 113.347 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.71 59.0 0.84 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.955 1.302 . . . . 0.0 112.928 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -76.63 118.92 19.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.829 1.252 . . . . 0.0 107.86 172.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 9.6 t -134.4 97.25 3.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -165.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' VAL . . . . . 0.533 ' H ' ' CE1' ' B' ' 652' ' ' HIS . 3.3 t -130.06 -119.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.742 -0.599 . . . . 0.0 109.466 -166.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 30.1 tp -76.82 -28.08 55.43 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.591 -1.943 . . . . 0.0 111.511 -176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 652' ' ' HIS . . . . . 0.533 ' CE1' ' H ' ' B' ' 650' ' ' VAL . 19.9 p-80 -63.71 -26.97 68.89 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.822 1.649 . . . . 0.0 112.399 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' A' ' 105' ' ' GLU . 92.5 mtt180 -42.55 -59.95 1.71 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.652 1.581 . . . . 0.0 112.659 165.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.69 83.76 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 124.795 1.238 . . . . 0.0 111.781 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.23 -48.66 41.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.622 -0.674 . . . . 0.0 112.291 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.37 -44.64 71.12 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.796 -1.19 . . . . 0.0 111.679 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -87.27 5.82 36.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.253 -0.904 . . . . 0.0 111.659 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 658' ' ' TRP . . . . . 0.428 ' CG ' HD13 ' A' ' 165' ' ' ILE . 1.2 t90 -78.03 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.633 -1.292 . . . . 0.0 107.643 156.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.05 -46.39 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -169.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.26 1.646 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -171.025 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.519 3.012 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -76.59 111.97 12.64 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 121.018 -1.051 . . . . 0.0 111.633 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -138.69 -59.58 0.61 Allowed 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.78 -0.575 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.6 mtt -93.33 7.57 43.88 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.269 -0.895 . . . . 0.0 113.018 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 t -92.41 -126.07 0.09 Allowed 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.809 1.243 . . . . 0.0 109.463 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 96.41 0.06 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.513 1.925 . . . . 0.0 108.997 166.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 9.46 9.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.421 1.088 . . . . 0.0 108.632 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.31 -44.8 1.24 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.941 1.696 . . . . 0.0 113.073 -143.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.358 3.6 t -98.1 -94.56 0.23 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.623 -1.298 . . . . 0.0 110.577 -171.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -70.95 -33.75 70.79 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.12 -2.237 . . . . 0.0 109.35 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.3 -36.7 71.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 170.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -67.02 -40.6 87.27 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 117.818 -3.051 . . . . 0.0 112.46 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.84 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 120.913 -1.117 . . . . 0.0 110.832 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.29 -40.98 92.38 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.222 1.809 . . . . 0.0 113.142 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -62.34 -43.24 99.3 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.216 1.807 . . . . 0.0 112.732 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.71 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.402 -0.811 . . . . 0.0 111.71 169.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -55.78 -43.29 76.62 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.479 1.512 . . . . 0.0 113.136 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -55.92 -38.14 69.87 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.753 2.421 . . . . 0.0 114.025 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.211 1.004 . . . . 0.0 111.577 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -66.9 -52.92 37.47 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.376 -0.827 . . . . 0.0 112.543 167.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.08 54.77 0.55 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.446 1.498 . . . . 0.0 114.398 -173.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 47.4 t0 -41.12 -45.49 2.76 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 131.157 3.783 . . . . 0.0 113.888 172.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -89.56 -4.39 57.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.125 1.37 . . . . 0.0 111.941 -166.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 61.49 62.84 1.26 Allowed 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.745 1.618 . . . . 0.0 112.179 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -129.7 -17.88 3.56 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.552 0.741 . . . . 0.0 112.363 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.58 28.44 43.32 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 119.521 1.055 . . . . 0.0 113.147 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -156.62 122.45 4.86 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 55.1 mt -80.0 95.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 O-C-N 120.234 -1.541 . . . . 0.0 108.955 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 p -78.44 176.27 9.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.958 1.361 . . . . 0.0 111.67 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -51.62 -46.51 63.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.45 1.9 . . . . 0.0 112.693 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.56 -50.15 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.824 1.25 . . . . 0.0 111.524 175.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -59.49 -41.97 91.04 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.801 1.64 . . . . 0.0 112.016 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -46.75 82.66 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.985 0.914 . . . . 0.0 113.207 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -19.56 57.11 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.559 -1.338 . . . . 0.0 114.195 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.447 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 3.5 tmt_? -59.07 -52.42 65.83 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 126.46 1.904 . . . . 0.0 110.3 166.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.1 -44.47 91.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.048 1.339 . . . . 0.0 112.072 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.88 69.32 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.97 -24.6 59.64 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 96.5 mt-10 -66.85 -42.75 85.21 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.279 -0.888 . . . . 0.0 112.147 172.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.2 -43.08 68.09 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.239 -0.913 . . . . 0.0 110.696 170.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.04 38.84 4.48 Favored Glycine 0 CA--C 1.494 -1.271 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -175.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.15 159.06 16.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 122.421 1.105 . . . . 0.0 112.417 -171.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.95 82.01 5.13 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.264 -0.897 . . . . 0.0 111.966 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pt? -153.28 159.68 42.59 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 121.192 -0.943 . . . . 0.0 113.082 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.2 m -118.54 -110.1 0.35 Allowed 'General case' 0 C--N 1.353 0.761 0 C-N-CA 126.985 2.114 . . . . 0.0 110.74 -149.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -111.49 -54.15 2.64 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 119.917 -1.739 . . . . 0.0 106.688 163.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -42.8 -53.17 4.73 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 130.699 3.6 . . . . 0.0 114.443 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -73.71 -33.1 64.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.703 1.601 . . . . 0.0 110.66 -172.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.56 -43.82 72.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.752 1.221 . . . . 0.0 109.241 172.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.07 -44.33 96.91 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.289 1.436 . . . . 0.0 111.553 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -54.26 -52.65 60.72 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.055 1.742 . . . . 0.0 111.899 169.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 mtm -55.03 -44.99 75.16 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.638 -1.289 . . . . 0.0 114.235 174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.67 -47.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 121.37 -0.832 . . . . 0.0 112.636 174.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.06 -25.66 59.95 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.054 -1.029 . . . . 0.0 113.069 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -64.4 -50.41 67.73 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.543 -1.348 . . . . 0.0 109.664 164.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.85 -54.26 16.74 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -79.9 94.47 5.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.971 -1.081 . . . . 0.0 112.536 -164.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -85.09 -23.21 28.6 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 120.52 -1.362 . . . . 0.0 111.792 -169.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.61 -40.28 61.64 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.875 1.27 . . . . 0.0 109.474 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.31 43.29 2.39 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 120.74 -1.225 . . . . 0.0 111.024 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -85.6 -52.95 5.47 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.973 1.309 . . . . 0.0 107.844 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.46 17.29 7.16 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 125.648 1.594 . . . . 0.0 109.757 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.9 119.56 0.16 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 123.68 1.705 . . . . 0.0 108.119 -162.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.16 116.68 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.255 -148.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.4 p -76.75 168.45 20.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 124.588 1.155 . . . . 0.0 112.796 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -43.18 89.4 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.166 -1.583 . . . . 0.0 113.209 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -59.21 -37.45 77.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.042 1.337 . . . . 0.0 114.036 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.483 1.113 . . . . 0.0 110.178 175.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -52.2 -46.42 65.58 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.046 1.738 . . . . 0.0 112.393 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.4 mt -58.44 -36.99 74.49 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -69.15 -49.94 52.25 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.285 -1.509 . . . . 0.0 110.96 174.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -76.38 -12.92 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 113.001 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 15.2 mmt -74.65 -39.93 61.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 120.543 -1.348 . . . . 0.0 112.192 167.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -33.48 38.68 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 119.937 -1.727 . . . . 0.0 112.272 171.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 72.01 -79.7 0.04 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.185 2.194 . . . . 0.0 112.679 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 50.6 m 82.07 103.63 0.06 Allowed 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 127.676 2.39 . . . . 0.0 110.383 -163.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 41.1 t -126.46 48.42 2.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 166.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.1 tp 73.72 61.41 0.09 Allowed 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.467 1.907 . . . . 0.0 107.629 -161.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.267 1.989 0 N-CA-C 104.411 -2.44 . . . . 0.0 104.411 -168.743 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 641' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 660' ' ' THR . 83.7 mtp180 . . . . . 0 N--CA 1.502 2.137 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -99.1 -166.99 1.42 Allowed 'General case' 0 C--N 1.361 1.099 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.2 147.8 24.09 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 118.528 2.788 . . . . 0.0 118.528 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 50.0 tp -134.75 102.96 5.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 157.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -90.37 42.88 1.12 Allowed 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.55 -1.344 . . . . 0.0 111.53 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -124.58 105.27 9.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -138.14 -70.93 0.43 Allowed 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 118.552 -2.592 . . . . 0.0 107.188 -8.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -87.81 152.31 22.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 121.523 -0.736 . . . . 0.0 110.017 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 42.2 m 60.51 29.18 18.82 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 13.8 m -77.38 64.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 123.341 1.543 . . . . 0.0 111.478 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.85 -26.8 13.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 125.881 1.673 . . . . 0.0 111.097 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -65.82 -32.28 73.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 125.399 1.479 . . . . 0.0 110.076 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -50.34 -55.86 13.75 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.602 1.961 . . . . 0.0 112.301 162.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.76 84.8 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.453 -1.404 . . . . 0.0 112.251 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.0 -49.88 72.92 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.096 -1.003 . . . . 0.0 112.524 175.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.55 -13.7 59.85 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 120.786 -1.196 . . . . 0.0 112.613 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -73.06 -22.73 60.56 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 122.315 2.325 . . . . 0.0 111.707 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -77.87 -49.28 14.55 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.936 0.894 . . . . 0.0 110.109 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 7.0 p -100.12 -23.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 660' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 641' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.092 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.631 0.253 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.05 -51.39 68.0 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.164 1.385 . . . . 0.0 111.895 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -50.64 -55.16 17.67 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.684 1.194 . . . . 0.0 112.569 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.69 -44.31 98.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.752 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.45 -47.18 87.25 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.831 -1.168 . . . . 0.0 113.312 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -33.59 63.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.344 -1.473 . . . . 0.0 111.16 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.04 75.53 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 123.963 0.905 . . . . 0.0 112.124 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -49.94 -47.3 52.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 125.245 1.418 . . . . 0.0 112.493 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -66.3 -26.63 67.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.56 -24.51 62.8 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.322 -1.486 . . . . 0.0 113.146 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CG ' HG21 ' A' ' 129' ' ' VAL . 12.7 m-85 -81.34 -51.65 8.13 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 121.358 -0.839 . . . . 0.0 110.781 166.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -75.66 77.68 2.64 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.464 1.106 . . . . 0.0 112.285 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.29 -37.36 77.51 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.487 1.915 . . . . 0.0 112.187 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -77.55 -18.3 57.07 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 125.663 1.585 . . . . 0.0 111.307 -167.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 62.59 37.58 12.95 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.275 2.23 . . . . 0.0 110.498 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -95.66 -20.2 19.11 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 121.761 0.791 . . . . 0.0 110.369 -167.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.44 12.64 55.74 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 120.479 -1.388 . . . . 0.0 110.69 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -135.72 143.97 45.64 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.493 1.117 . . . . 0.0 108.65 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.54 107.44 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 158.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.2 p -85.38 170.57 12.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.9 0.857 . . . . 0.0 110.753 170.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -45.54 -48.82 14.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.625 1.97 . . . . 0.0 112.759 166.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -58.82 -46.57 87.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.552 1.541 . . . . 0.0 112.107 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.961 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -52.68 62.8 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.971 1.308 . . . . 0.0 112.735 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -67.91 -31.97 72.11 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.596 -1.315 . . . . 0.0 113.54 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 132' ' ' GLU . 1.2 tmm_? -62.76 -37.4 86.49 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.767 -1.208 . . . . 0.0 111.888 171.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 113' ' ' PHE . 25.5 t -66.56 -47.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 O-C-N 120.499 -1.376 . . . . 0.0 111.875 169.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.7 64.46 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -77.36 -14.82 59.64 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.441 ' OE1' ' NH1' ' A' ' 128' ' ' ARG . 40.9 tt0 -73.09 -44.1 60.91 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.352 -0.843 . . . . 0.0 110.854 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.37 -37.21 80.21 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.368 -0.833 . . . . 0.0 110.34 170.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.58 25.03 9.54 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.49 124.52 34.58 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -87.34 74.52 9.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 119.978 -1.701 . . . . 0.0 111.522 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.73 145.39 31.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.869 1.268 . . . . 0.0 111.699 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.443 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 28.8 p -95.41 32.79 1.7 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -168.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.46 ' HA ' HD23 ' A' ' 142' ' ' LEU . 0.9 OUTLIER 67.34 -43.88 0.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.31 1.844 . . . . 0.0 115.353 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.81 -39.18 93.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.72 -1.238 . . . . 0.0 113.286 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 138' ' ' THR . 6.0 pm0 -74.68 -24.84 58.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 119.922 -1.736 . . . . 0.0 112.708 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 139' ' ' ASP . 3.2 mm? -63.51 -43.03 98.38 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.372 -1.455 . . . . 0.0 109.531 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.58 -49.45 76.57 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.001 0.921 . . . . 0.0 110.675 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -50.89 -51.62 50.01 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.408 1.083 . . . . 0.0 113.129 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.1 mtm -55.87 -41.84 74.98 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.4 -40.96 56.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.378 -0.826 . . . . 0.0 110.758 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.46 -40.8 97.81 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.939 -1.1 . . . . 0.0 112.562 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -53.28 -54.7 32.46 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.354 2.262 . . . . 0.0 110.966 165.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.6 50.85 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.77 -1.206 . . . . 0.0 114.065 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.7 t70 84.29 92.75 0.03 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 160.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -95.67 1.32 53.48 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.528 -1.357 . . . . 0.0 111.342 161.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.14 -38.87 26.46 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.066 1.346 . . . . 0.0 110.22 -171.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.03 -50.94 0.1 Allowed Glycine 0 C--N 1.353 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 113.335 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.8 -41.73 9.49 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 118.127 0.964 . . . . 0.0 110.173 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 106.45 -53.95 0.6 Allowed Glycine 0 C--N 1.351 1.377 0 O-C-N 120.799 -1.188 . . . . 0.0 110.711 171.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -114.58 -160.32 0.73 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 103.757 -2.683 . . . . 0.0 103.757 161.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.2 t -116.18 107.63 23.06 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 O-C-N 120.365 -1.459 . . . . 0.0 111.846 -159.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.9 p -87.81 -176.05 5.36 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.44 -2.037 . . . . 0.0 110.816 170.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.58 -31.87 72.84 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.219 -1.55 . . . . 0.0 112.659 -174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.67 -37.82 87.56 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.208 -0.933 . . . . 0.0 112.254 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.56 -42.11 83.14 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.24 -1.537 . . . . 0.0 110.339 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.52 -43.66 93.34 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.419 -0.8 . . . . 0.0 111.673 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.93 -45.79 82.5 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.165 -1.584 . . . . 0.0 112.022 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -57.85 -46.22 85.12 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.813 1.188 . . . . 0.0 113.57 171.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -37.48 79.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 O-C-N 120.582 -1.323 . . . . 0.0 112.318 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 95.0 mmm -73.84 -45.48 50.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.283 -1.511 . . . . 0.0 112.112 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt . . . . . 0 C--N 1.356 0.848 0 O-C-N 120.474 -1.391 . . . . 0.0 114.343 -179.781 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.548 0.69 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -57.25 -51.26 70.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.652 1.581 . . . . 0.0 110.577 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -45.47 -46.57 13.75 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 126.753 2.021 . . . . 0.0 113.317 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.08 42.22 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.224 -0.922 . . . . 0.0 112.879 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.42 -49.78 65.61 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.971 -1.08 . . . . 0.0 113.501 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 120.819 -1.176 . . . . 0.0 111.194 -174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.78 -21.68 62.46 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.921 -1.112 . . . . 0.0 113.078 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -84.14 -45.18 13.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.532 -0.73 . . . . 0.0 110.269 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.3 p -86.21 -35.86 9.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.26 1.606 0 CA-C-N 119.581 1.082 . . . . 0.0 110.771 -165.609 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -36.71 73.64 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 0.0 110.904 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -55.66 -50.41 70.3 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.98 1.712 . . . . 0.0 112.875 170.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.12 -46.21 92.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.876 -1.14 . . . . 0.0 112.668 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.6 -39.67 92.06 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.353 -1.467 . . . . 0.0 113.622 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -66.38 -42.92 87.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.037 -1.664 . . . . 0.0 112.436 171.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.97 84.95 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.896 -1.128 . . . . 0.0 112.509 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.42 -44.51 68.84 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.664 1.586 . . . . 0.0 112.878 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -18.81 57.63 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.21 -34.11 59.26 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.845 1.258 . . . . 0.0 111.06 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.409 ' CD1' HG21 ' A' ' 129' ' ' VAL . 12.3 m-85 -59.32 -59.31 5.66 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 121.11 -0.993 . . . . 0.0 112.723 164.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -88.25 91.14 8.67 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.837 -1.164 . . . . 0.0 114.003 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.54 -26.05 66.96 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.749 -1.219 . . . . 0.0 112.735 170.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -87.16 -18.91 29.28 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.255 0.622 . . . . 0.0 110.082 -158.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 66.87 49.46 1.19 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 122.939 1.352 . . . . 0.0 111.561 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -32.74 25.77 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.94 68.99 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -143.68 146.38 33.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 88.6 mt -90.92 101.5 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 O-C-N 120.045 -1.66 . . . . 0.0 108.401 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 p -80.97 174.33 11.73 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.755 -1.216 . . . . 0.0 110.241 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CZ ' HD23 ' A' ' 142' ' ' LEU . 25.1 t80 -49.35 -42.63 42.4 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.489 1.915 . . . . 0.0 111.809 171.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -62.9 -41.35 99.41 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.571 1.548 . . . . 0.0 112.004 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -75.58 -40.77 56.1 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 127.001 2.12 . . . . 0.0 109.07 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -43.81 87.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.604 -1.31 . . . . 0.0 112.978 171.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -61.16 -30.37 70.35 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -56.08 -52.07 65.62 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.758 -1.214 . . . . 0.0 111.337 172.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 113' ' ' PHE . 92.8 t -66.19 -40.76 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.821 0.848 . . . . 0.0 111.137 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.85 75.55 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 171.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -63.0 -53.34 55.45 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 123.849 0.859 . . . . 0.0 112.679 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.2 -30.62 67.77 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.83 -40.63 28.11 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 167.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.7 64.67 1.25 Allowed Glycine 0 C--N 1.352 1.449 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.28 167.35 22.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.32 -17.26 32.83 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 112.275 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.87 179.03 7.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.658 1.183 . . . . 0.0 111.107 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 m -104.87 -73.14 0.69 Allowed 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 120.226 -1.546 . . . . 0.0 108.088 -169.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -150.23 2.07 0.48 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.239 2.215 . . . . 0.0 110.353 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -66.0 -47.05 75.79 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 126.64 1.976 . . . . 0.0 108.117 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 142' ' ' LEU . 1.9 pt-20 -30.04 -63.0 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 129.827 3.251 . . . . 0.0 114.023 172.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 142' ' ' LEU . 0.1 OUTLIER -69.93 -45.69 66.98 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 121.952 -0.467 . . . . 0.0 110.027 -173.013 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.49 -45.64 93.01 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.807 -0.558 . . . . 0.0 112.002 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -51.93 67.68 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 125.222 1.409 . . . . 0.0 111.307 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.0 mtm -59.05 -43.9 91.73 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -57.04 -54.09 34.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 C-N-CA 124.35 1.06 . . . . 0.0 111.053 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.57 -36.87 85.63 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.274 1.03 . . . . 0.0 112.347 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.915 -1.116 . . . . 0.0 112.033 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.8 -52.96 10.06 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -78.95 101.13 7.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.063 1.411 . . . . 0.0 110.678 -171.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -97.91 -26.83 14.53 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.524 -171.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.24 -31.91 21.43 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.148 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.33 74.38 1.16 Allowed Glycine 0 C--N 1.358 1.796 0 CA-C-N 120.121 1.328 . . . . 0.0 112.618 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.36 -54.38 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.63 -44.74 1.26 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -102.07 150.51 23.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 123.213 1.482 . . . . 0.0 107.848 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.3 104.8 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 O-C-N 120.033 -1.667 . . . . 0.0 108.165 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 80.9 p -69.32 175.68 3.81 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.311 1.053 . . . . 0.0 112.913 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -55.39 24.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 126.64 1.976 . . . . 0.0 110.712 172.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.29 -50.81 58.59 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 113.858 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.437 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 12.2 mm-40 -66.74 -36.98 83.72 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.734 -1.228 . . . . 0.0 112.471 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -65.41 -44.48 87.3 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.953 -1.092 . . . . 0.0 112.116 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.59 -42.02 98.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.153 -1.592 . . . . 0.0 111.973 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.437 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 46.7 mtp180 -60.77 -46.04 92.02 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 113.322 172.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -41.22 90.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 120.582 -1.324 . . . . 0.0 112.035 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.9 -42.4 66.8 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.199 -1.563 . . . . 0.0 113.045 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 C--N 1.352 0.69 0 O-C-N 120.399 -1.438 . . . . 0.0 113.282 -179.843 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 25.2 tp . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 116.528 2.048 . . . . 0.0 116.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -61.38 -24.23 66.34 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.24 -1.537 . . . . 0.0 112.718 170.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -51.18 46.55 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.51 1.524 . . . . 0.0 111.83 166.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.18 36.73 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 121.512 -0.742 . . . . 0.0 110.646 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.3 -54.18 23.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 121.184 -0.948 . . . . 0.0 113.188 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' B' ' 659' ' ' VAL . 77.9 mt-30 -82.27 -28.18 31.94 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 120.464 -1.398 . . . . 0.0 111.799 -165.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.21 -4.58 57.36 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.673 0.669 . . . . 0.0 111.893 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -88.4 -45.72 9.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.259 -0.901 . . . . 0.0 108.887 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 656' ' ' GLN . 1.3 p -72.93 -37.1 53.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 120.585 -1.322 . . . . 0.0 114.005 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.261 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 178.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.49 -50.63 72.81 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.438 1.095 . . . . 0.0 110.607 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.52 -1.363 . . . . 0.0 113.38 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.69 -47.46 91.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.417 -1.427 . . . . 0.0 111.378 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.65 -42.77 97.65 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.746 -1.221 . . . . 0.0 112.186 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.76 -43.14 97.3 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.025 -1.672 . . . . 0.0 113.005 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.99 93.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.65 1.58 . . . . 0.0 112.932 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -53.65 -43.01 68.45 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 125.184 1.394 . . . . 0.0 111.561 170.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -78.14 -12.95 60.03 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.06 -37.7 33.36 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.012 -1.68 . . . . 0.0 109.866 169.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -59.14 -60.92 3.1 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.518 0.727 . . . . 0.0 112.785 163.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -68.12 93.69 0.46 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.43 -39.86 73.78 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 127.435 2.294 . . . . 0.0 114.762 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -87.76 -21.9 24.87 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.617 1.167 . . . . 0.0 109.397 -171.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 69.91 42.7 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.993 2.117 . . . . 0.0 108.921 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.76 -35.78 15.53 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.913 1.285 . . . . 0.0 110.608 -165.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.59 28.04 3.11 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 124.598 1.094 . . . . 0.0 111.427 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -154.13 145.45 22.99 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.287 1.041 . . . . 0.0 110.785 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.0 mt -95.06 100.3 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.0 t -86.9 172.5 10.01 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 120.683 -1.26 . . . . 0.0 110.301 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.04 -40.97 70.81 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 125.556 1.542 . . . . 0.0 111.031 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -51.76 55.73 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 128.4 2.68 . . . . 0.0 111.486 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -70.07 -41.39 74.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 126.332 1.853 . . . . 0.0 111.363 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -53.35 58.68 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.407 1.483 . . . . 0.0 111.361 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -66.22 -34.12 77.29 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.584 0.754 . . . . 0.0 112.879 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -51.91 67.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 121.019 -1.051 . . . . 0.0 112.498 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.8 -41.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 120.085 -1.634 . . . . 0.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.6 -44.67 66.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 170.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -83.03 1.56 39.42 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -82.55 -47.08 12.56 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 119.915 -1.741 . . . . 0.0 109.338 163.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.47 -43.11 73.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.329 0.652 . . . . 0.0 112.165 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 26.85 8.14 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -87.79 115.9 25.57 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.815 0.817 . . . . 0.0 109.29 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -79.32 53.69 1.55 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -171.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.67 147.61 27.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.851 1.31 . . . . 0.0 111.424 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.3 m -83.82 153.7 23.91 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.213 1.405 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.59 -39.59 50.22 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.885 1.674 . . . . 0.0 115.381 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.73 -42.49 75.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.037 1.735 . . . . 0.0 112.983 171.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.69 -36.84 70.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.132 1.373 . . . . 0.0 111.121 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -40.89 94.62 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.723 -1.235 . . . . 0.0 110.934 171.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -66.68 -41.31 88.28 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.37 -0.831 . . . . 0.0 112.44 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.27 -48.82 54.71 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.89 1.276 . . . . 0.0 112.398 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.8 mtm -55.32 -49.18 72.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.92 -53.97 35.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 121.421 -0.799 . . . . 0.0 111.836 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.161 1.385 . . . . 0.0 112.297 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.75 -46.63 89.68 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.472 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.56 -47.63 31.51 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 121.295 -0.878 . . . . 0.0 112.43 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -76.81 68.79 3.07 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 124.202 1.953 . . . . 0.0 111.976 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -63.01 -30.23 71.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.75 2.02 . . . . 0.0 113.195 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.48 -24.66 16.55 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 118.679 -0.677 . . . . 0.0 112.786 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.33 54.2 1.03 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 120.526 1.512 . . . . 0.0 114.246 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.78 -27.35 25.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.132 1.373 . . . . 0.0 109.358 169.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 99.59 0.02 56.69 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 120.466 -1.396 . . . . 0.0 110.898 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -170.05 172.5 6.43 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 103.471 -2.788 . . . . 0.0 103.471 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.6 t -117.9 114.98 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 CA-C-O 122.201 1.0 . . . . 0.0 110.943 -156.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.7 t -83.78 179.98 7.44 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.184 0.992 . . . . 0.0 110.948 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.97 -49.76 74.79 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.791 1.636 . . . . 0.0 112.048 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.78 -41.18 70.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.54 1.536 . . . . 0.0 113.005 171.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.3 mp0 -68.18 -39.1 82.6 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.635 -1.291 . . . . 0.0 111.295 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.03 -42.53 89.46 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.97 -1.081 . . . . 0.0 111.989 173.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.65 -37.11 86.46 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.41 -1.431 . . . . 0.0 113.244 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 36.7 mtt180 -57.75 -51.61 68.85 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.798 1.239 . . . . 0.0 112.755 168.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.77 76.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 120.646 -1.284 . . . . 0.0 112.228 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 17.9 mmt -66.06 -25.69 67.15 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.142 -2.224 . . . . 0.0 113.579 170.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--N 1.353 0.753 0 O-C-N 120.654 -1.279 . . . . 0.0 112.574 169.295 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.513 -0.478 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -46.73 -47.01 20.7 Favored 'General case' 0 CA--C 1.503 -0.863 0 C-N-CA 126.407 1.883 . . . . 0.0 111.6 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -6.63 -70.27 0.0 OUTLIER 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.081 3.352 . . . . 0.0 115.894 152.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.37 -24.85 36.77 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 124.223 1.009 . . . . 0.0 111.507 -168.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 15.7 tp -83.87 -45.48 13.19 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 121.616 0.722 . . . . 0.0 111.066 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.68 -47.1 82.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.468 1.507 . . . . 0.0 111.504 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -80.74 -0.06 36.82 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 121.141 -0.974 . . . . 0.0 112.396 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -82.67 -58.55 2.85 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.325 -1.484 . . . . 0.0 108.127 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.96 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.265 1.878 0 CA-C-O 116.427 -1.749 . . . . 0.0 110.945 176.148 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 118.938 -0.553 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -51.79 68.47 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.209 1.368 . . . . 0.0 111.744 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.01 -46.25 91.51 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.886 1.275 . . . . 0.0 110.985 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.3 mm -69.02 -41.78 81.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 113.328 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.36 -41.48 85.02 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.758 -1.839 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -58.86 -48.77 80.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.697 -1.252 . . . . 0.0 111.589 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.83 86.92 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 113.762 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.82 -47.64 70.69 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.711 1.604 . . . . 0.0 112.09 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -78.17 -18.73 55.17 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.25 -34.78 78.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.378 -1.451 . . . . 0.0 112.554 162.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' ' 129' ' ' VAL . 65.3 m-85 -67.88 -54.8 16.08 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.802 -1.186 . . . . 0.0 112.824 163.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.97 70.49 0.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.985 1.714 . . . . 0.0 113.69 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.416 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 1.1 m-20 -55.16 -45.48 75.71 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 127.138 2.175 . . . . 0.0 113.782 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -7.45 59.48 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.047 1.339 . . . . 0.0 111.596 -163.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 64.1 60.18 1.01 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.318 1.447 . . . . 0.0 112.729 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 t -111.8 -22.34 11.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.301 -0.875 . . . . 0.0 110.126 173.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.72 28.93 44.94 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 119.046 0.839 . . . . 0.0 111.407 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -147.53 147.23 29.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 64.9 mt -96.64 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 CA-C-O 122.2 1.0 . . . . 0.0 108.89 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.2 p -78.69 167.29 21.44 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 122.433 1.111 . . . . 0.0 112.641 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -57.33 -40.86 78.87 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.009 1.724 . . . . 0.0 110.507 170.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.04 -47.69 84.3 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.496 1.918 . . . . 0.0 111.796 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.53 -46.81 87.79 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.5 1.12 . . . . 0.0 112.088 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -50.52 55.21 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.218 1.407 . . . . 0.0 112.594 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -75.44 -17.08 60.26 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.416 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 3.3 mpt_? -65.27 -52.4 54.59 Favored 'General case' 0 C--N 1.363 1.178 0 O-C-N 120.298 -1.502 . . . . 0.0 109.419 163.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.52 HG21 ' CD1' ' A' ' 113' ' ' PHE . 50.9 t -57.06 -45.03 83.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.027 0.931 . . . . 0.0 111.946 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.74 -47.43 64.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 172.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -23.99 58.44 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.765 -1.21 . . . . 0.0 113.384 177.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -68.04 -44.11 77.17 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 121.254 -0.904 . . . . 0.0 112.374 173.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.83 -39.78 63.8 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 121.033 -1.042 . . . . 0.0 111.143 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.06 41.97 1.86 Allowed Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -82.71 120.1 25.16 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.906 0.86 . . . . 0.0 111.539 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 58.83 5.27 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.705 -1.247 . . . . 0.0 109.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 164.43 12.25 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.292 1.037 . . . . 0.0 112.025 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.1 p -90.24 164.47 14.38 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.024 -1.047 . . . . 0.0 110.836 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -60.01 0.95 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 129.487 3.115 . . . . 0.0 114.351 168.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.33 -36.02 30.29 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.843 2.057 . . . . 0.0 115.439 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.099 -1.625 . . . . 0.0 112.184 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.77 -43.11 89.84 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.674 -1.266 . . . . 0.0 110.517 171.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -48.49 79.89 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.092 1.757 . . . . 0.0 111.943 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -49.5 -53.25 24.31 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 127.228 2.211 . . . . 0.0 111.77 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 mtm -57.46 -37.82 73.48 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.91 -51.42 55.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.286 -1.509 . . . . 0.0 111.683 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.35 -36.85 79.86 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.854 0.862 . . . . 0.0 111.609 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.89 -55.49 31.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.959 1.703 . . . . 0.0 112.47 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.21 -51.33 12.3 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -165.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 161' ' ' GLU . 10.9 t70 -80.06 59.43 3.26 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -159.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -66.53 -49.17 67.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.534 1.534 . . . . 0.0 114.282 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -114.74 26.04 10.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.069 -1.019 . . . . 0.0 108.559 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.28 -107.32 2.5 Favored Glycine 0 C--N 1.358 1.793 0 O-C-N 121.452 -0.78 . . . . 0.0 114.651 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.73 -41.46 0.44 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.616 1.166 . . . . 0.0 109.667 -164.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.73 -31.45 1.89 Allowed Glycine 0 C--N 1.354 1.53 0 O-C-N 120.545 -1.347 . . . . 0.0 109.908 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -133.77 154.15 51.2 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 9.2 t -78.2 113.45 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 CA-C-O 121.369 0.604 . . . . 0.0 112.46 -142.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 163.18 22.39 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.54 -0.725 . . . . 0.0 111.393 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.334 -1.479 . . . . 0.0 113.656 -170.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.61 -41.02 84.92 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.519 1.128 . . . . 0.0 110.667 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 150' ' ' ASP . 67.4 mm-40 -79.85 -42.41 24.34 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 125.023 1.329 . . . . 0.0 109.616 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -59.15 -48.08 82.93 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.731 -0.605 . . . . 0.0 111.864 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.02 -28.03 62.11 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.023 -1.673 . . . . 0.0 113.288 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.418 ' NH1' ' OE1' ' A' ' 161' ' ' GLU . 34.6 ttm180 -58.65 -52.82 64.05 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.135 1.334 . . . . 0.0 112.58 171.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.55 -32.86 60.07 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 121.478 -0.764 . . . . 0.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.5 mmt -72.36 -43.46 63.99 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.336 -0.853 . . . . 0.0 112.362 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--N 1.358 0.948 0 C-N-CA 126.307 1.843 . . . . 0.0 113.806 179.049 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 122.237 1.017 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -41.72 99.51 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 126.116 1.766 . . . . 0.0 110.664 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -44.64 -60.32 2.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.392 1.877 . . . . 0.0 112.623 165.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.37 96.16 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.126 1.37 . . . . 0.0 112.54 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.99 -49.75 66.73 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 112.272 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -72.97 -32.76 65.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.63 -1.294 . . . . 0.0 113.507 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.23 61.13 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.512 -1.367 . . . . 0.0 112.545 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -86.73 -56.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 123.782 0.833 . . . . 0.0 110.024 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.33 -29.75 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 120.846 -1.159 . . . . 0.0 110.731 -168.506 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.234 0.248 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.41 -15.4 57.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 121.051 -1.031 . . . . 0.0 110.789 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.47 -32.71 74.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.575 -1.328 . . . . 0.0 112.721 164.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mt -63.24 -41.81 94.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 119.666 -1.896 . . . . 0.0 110.504 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.83 -45.51 92.25 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.686 -1.258 . . . . 0.0 113.249 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -50.97 -53.02 36.81 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.66 1.984 . . . . 0.0 111.806 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.19 97.02 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.349 1.459 . . . . 0.0 112.555 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.76 -44.76 77.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.462 1.105 . . . . 0.0 112.347 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -77.37 -26.97 52.39 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.654 -1.279 . . . . 0.0 114.365 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.47 -35.16 79.54 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.579 -1.951 . . . . 0.0 111.527 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.44 ' CD1' HG21 ' A' ' 129' ' ' VAL . 28.2 m-85 -65.45 -61.46 2.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 158.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -71.47 68.37 0.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.603 1.561 . . . . 0.0 114.814 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.65 -32.02 67.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 129.381 3.072 . . . . 0.0 110.134 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.23 -17.32 60.9 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.297 1.839 . . . . 0.0 111.213 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 58.34 41.0 23.85 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.53 2.332 . . . . 0.0 113.383 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -97.76 -11.15 23.72 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.07 -1.019 . . . . 0.0 112.263 -172.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.74 25.29 53.74 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 120.696 -1.253 . . . . 0.0 110.914 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -152.22 148.25 27.35 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.05 91.86 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 160.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -64.37 159.72 20.57 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.386 1.874 . . . . 0.0 111.745 170.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -56.25 -35.71 67.72 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.367 1.467 . . . . 0.0 110.99 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.87 -52.37 65.72 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.91 1.284 . . . . 0.0 112.01 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.78 -43.29 99.14 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.165 1.786 . . . . 0.0 111.37 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -54.24 48.1 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.509 1.523 . . . . 0.0 112.078 173.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -27.7 64.24 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.75 -1.219 . . . . 0.0 114.176 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -57.21 -51.0 71.1 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.081 1.353 . . . . 0.0 111.78 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 113' ' ' PHE . 48.2 t -58.51 -45.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 121.303 -0.873 . . . . 0.0 112.164 175.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -34.98 60.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -60.94 -55.4 33.41 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 121.256 -0.903 . . . . 0.0 111.579 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.22 -10.9 59.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 112.628 -165.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.46 -33.46 75.75 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.218 -0.926 . . . . 0.0 112.507 159.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.96 38.97 10.62 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 136' ' ' ASN . 2.0 tm-20 -90.05 -176.92 5.04 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.096 1.427 . . . . 0.0 113.546 -172.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.465 ' H ' ' CD ' ' A' ' 135' ' ' GLU . 48.1 m-80 -123.7 -38.46 2.51 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.458 2.703 . . . . 0.0 108.767 -164.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 148.05 23.2 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 21.9 p -101.67 -175.35 2.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 111.98 -167.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -66.62 -30.6 70.91 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -166.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.88 -42.85 69.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.337 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.13 -45.98 83.04 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.716 -1.24 . . . . 0.0 111.886 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.18 -38.06 82.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.058 1.343 . . . . 0.0 113.305 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -46.93 83.22 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.144 1.378 . . . . 0.0 111.502 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.67 -30.58 71.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.716 -1.24 . . . . 0.0 112.561 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mtt -55.58 -46.27 77.25 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 120.776 -1.203 . . . . 0.0 113.801 166.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.13 -49.55 81.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 124.606 1.162 . . . . 0.0 111.329 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -55.23 -53.24 58.55 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.474 1.11 . . . . 0.0 111.497 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -71.83 -22.5 61.54 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.658 -1.276 . . . . 0.0 113.646 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.51 -58.31 3.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.376 -1.452 . . . . 0.0 112.368 166.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -88.03 75.33 8.76 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.722 -1.236 . . . . 0.0 110.106 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -65.02 -33.47 76.11 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.78 -41.1 38.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.829 1.251 . . . . 0.0 110.674 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.53 73.31 1.1 Allowed Glycine 0 C--N 1.353 1.48 0 O-C-N 121.592 -0.692 . . . . 0.0 112.526 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -85.08 -43.87 13.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 162.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 139.91 -40.29 1.42 Allowed Glycine 0 CA--C 1.487 -1.708 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 170.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -127.44 158.78 36.43 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.92 113.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 O-C-N 120.944 -1.097 . . . . 0.0 111.281 -159.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.36 176.21 9.55 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.665 -1.272 . . . . 0.0 112.32 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -54.21 42.23 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.959 1.304 . . . . 0.0 111.705 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -43.11 -46.7 5.89 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 126.011 1.725 . . . . 0.0 114.96 163.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.409 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.5 mp0 -69.19 -39.63 78.56 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.059 -1.651 . . . . 0.0 111.69 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -61.85 -47.08 86.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.36 -0.837 . . . . 0.0 111.48 171.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.94 -48.05 76.45 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.525 1.13 . . . . 0.0 112.175 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.409 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 53.5 mtp180 -55.59 -52.61 63.19 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.933 1.293 . . . . 0.0 113.894 173.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.82 -38.95 83.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 O-C-N 121.042 -1.036 . . . . 0.0 112.679 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 94.3 mmm -68.29 -38.66 81.89 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 121.253 -0.905 . . . . 0.0 112.075 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 C--N 1.358 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 178.809 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 N--CA 1.439 -0.991 0 CA-C-O 121.544 0.688 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -52.37 -38.71 59.51 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.663 1.585 . . . . 0.0 112.737 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -36.58 -50.6 0.81 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.354 2.662 . . . . 0.0 114.656 166.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.35 -45.2 26.83 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.523 -0.736 . . . . 0.0 111.459 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.32 -36.55 58.23 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.213 -0.93 . . . . 0.0 112.849 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.91 -42.68 66.44 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.315 -1.491 . . . . 0.0 110.993 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.67 -18.74 65.53 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.364 -1.46 . . . . 0.0 113.44 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.16 -59.07 3.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.299 1.44 . . . . 0.0 111.158 166.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.26 -19.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.266 1.967 0 O-C-N 119.664 -1.897 . . . . 0.0 112.317 -169.478 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 C--O 1.234 0.255 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -34.79 72.4 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 120.981 -1.074 . . . . 0.0 109.832 172.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.11 -45.31 91.23 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.119 0.568 . . . . 0.0 112.517 169.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.78 -45.82 97.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.553 -1.342 . . . . 0.0 111.414 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.93 -45.46 90.32 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.668 -1.27 . . . . 0.0 112.279 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.63 -47.1 86.92 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.26 1.424 . . . . 0.0 112.466 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.69 73.51 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.998 2.119 . . . . 0.0 112.799 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -54.87 -46.54 74.73 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.298 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -71.31 -33.78 69.98 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.78 -35.61 81.18 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.555 -1.34 . . . . 0.0 112.288 172.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.69 -58.77 5.37 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 121.098 -1.001 . . . . 0.0 112.912 163.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -71.47 81.65 0.79 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 123.39 1.567 . . . . 0.0 112.609 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -47.11 -40.32 15.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 131.577 3.951 . . . . 0.0 112.819 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.4 -36.68 20.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.586 1.155 . . . . 0.0 110.84 -174.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.25 45.5 mt-10 74.19 47.17 0.15 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.958 2.103 . . . . 0.0 110.027 -172.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 t -88.94 -16.31 32.13 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.752 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.57 24.38 12.34 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 124.678 1.132 . . . . 0.0 110.529 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -153.22 143.33 22.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 122.2 1.0 . . . . 0.0 109.245 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.18 89.16 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 120.236 -1.54 . . . . 0.0 107.906 166.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -68.37 167.99 13.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 112.142 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.8 -41.5 95.76 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.672 1.589 . . . . 0.0 111.264 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -56.17 -45.48 79.69 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 111.941 170.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.89 -34.22 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.85 1.26 . . . . 0.0 110.136 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -57.67 11.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.365 1.466 . . . . 0.0 112.289 164.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HB2' HD13 ' A' ' 142' ' ' LEU . 1.5 ptmm? -71.13 -23.28 62.05 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -176.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -56.99 -58.08 9.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.211 1.804 . . . . 0.0 110.866 166.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.93 -40.48 62.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 C-N-CA 125.01 1.324 . . . . 0.0 113.045 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.27 -49.83 52.09 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.926 0.89 . . . . 0.0 112.905 170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.28 -37.13 69.1 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.429 -1.42 . . . . 0.0 113.837 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.44 -42.47 96.15 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.777 1.171 . . . . 0.0 112.258 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.86 -44.83 54.26 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.402 -0.812 . . . . 0.0 111.832 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.29 -2.23 22.28 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 121.57 -0.706 . . . . 0.0 111.398 -176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.14 97.53 1.96 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.92 1.688 . . . . 0.0 109.609 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -91.28 75.28 6.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.93 -1.731 . . . . 0.0 111.082 -173.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mp -81.47 160.27 24.01 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.525 0.73 . . . . 0.0 110.915 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.47 162.98 20.77 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.422 1.089 . . . . 0.0 109.437 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 142' ' ' LEU . 1.6 m-20 -68.2 -34.35 76.1 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.066 -1.646 . . . . 0.0 111.217 -171.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.21 -53.06 23.16 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 127.687 2.395 . . . . 0.0 113.415 165.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.75 -42.13 86.71 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 111.229 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 139' ' ' ASP . 23.1 mt -59.63 -41.02 89.52 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.654 1.182 . . . . 0.0 111.967 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -66.49 -42.49 87.35 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.714 1.205 . . . . 0.0 111.859 172.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -57.33 -40.32 77.72 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.754 -1.216 . . . . 0.0 112.938 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.6 mtm -56.47 -48.53 76.91 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.468 -1.395 . . . . 0.0 113.673 167.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.0 mm -55.84 -46.73 80.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.484 -1.385 . . . . 0.0 112.027 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -44.06 93.9 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.544 1.538 . . . . 0.0 113.715 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -53.88 -43.56 69.71 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.283 1.433 . . . . 0.0 112.486 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.95 -51.1 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -82.67 71.64 9.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.745 1.736 . . . . 0.0 109.651 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.54 -8.37 59.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.602 1.161 . . . . 0.0 112.09 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.29 -44.36 12.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.006 0.923 . . . . 0.0 109.225 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.4 47.35 0.87 Allowed Glycine 0 C--N 1.359 1.821 0 O-C-N 120.768 -1.208 . . . . 0.0 113.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.71 -54.35 4.3 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 119.18 11.24 7.6 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 125.117 1.342 . . . . 0.0 110.958 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -155.98 125.57 6.34 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -169.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.22 127.07 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 O-C-N 120.719 -1.238 . . . . 0.0 112.087 -155.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.6 p -72.73 173.25 9.33 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.956 1.302 . . . . 0.0 112.597 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -46.53 76.51 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.684 -1.26 . . . . 0.0 109.535 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.57 -32.18 64.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.807 0.843 . . . . 0.0 112.863 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -37.01 76.09 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.306 -1.496 . . . . 0.0 110.617 174.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -59.96 -51.14 70.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.427 0.691 . . . . 0.0 111.46 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.09 -42.42 80.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.68 -1.262 . . . . 0.0 113.793 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.59 -53.39 55.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.794 1.238 . . . . 0.0 112.117 171.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.303 2.4 pp -68.1 -36.28 74.77 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 119.925 1.239 . . . . 0.0 114.02 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 96.1 mmm -67.97 -34.25 76.21 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 121.151 -0.968 . . . . 0.0 111.815 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttm . . . . . 0 C--N 1.351 0.66 0 O-C-N 120.949 -1.094 . . . . 0.0 112.036 171.308 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.74 -50.62 3.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.164 1.785 . . . . 0.0 114.481 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -35.24 -53.08 0.62 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 128.378 2.671 . . . . 0.0 115.067 167.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.45 72.38 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 124.87 1.268 . . . . 0.0 111.259 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 16.4 tp -72.85 -47.43 46.22 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.159 -0.963 . . . . 0.0 111.011 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.58 -38.33 83.89 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.201 1.0 . . . . 0.0 113.555 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.95 -5.93 59.27 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 122.497 1.142 . . . . 0.0 112.377 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -86.41 -42.39 13.67 Favored 'General case' 0 N--CA 1.435 -1.205 0 O-C-N 120.177 -1.577 . . . . 0.0 109.337 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.33 -39.06 27.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.877 -1.139 . . . . 0.0 112.933 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.261 1.698 0 CA-C-O 117.628 -1.177 . . . . 0.0 109.94 -175.164 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 CA--C 1.521 -0.157 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.41 -38.85 78.1 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.335 1.054 . . . . 0.0 110.648 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.77 -47.55 79.89 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.87 0.868 . . . . 0.0 111.795 167.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -63.49 -43.86 98.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 O-C-N 121.233 -0.917 . . . . 0.0 111.907 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.82 -40.72 96.26 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.079 -1.638 . . . . 0.0 112.57 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.38 -43.02 95.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.612 -1.305 . . . . 0.0 112.278 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.34 89.42 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.686 1.194 . . . . 0.0 112.502 172.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.77 -44.99 86.55 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.5 1.12 . . . . 0.0 112.12 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -68.57 -35.42 77.36 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.13 -27.78 68.97 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.648 -1.282 . . . . 0.0 112.745 172.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -73.16 -69.6 0.41 Allowed 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.097 -1.002 . . . . 0.0 112.092 157.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.79 68.98 3.09 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.311 -1.493 . . . . 0.0 111.796 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' CG ' HH21 ' A' ' 128' ' ' ARG . 2.9 p30 -88.92 -7.28 56.37 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.728 -1.232 . . . . 0.0 111.184 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -82.81 -8.86 59.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.675 1.99 . . . . 0.0 109.941 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 58.25 50.21 10.06 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.602 1.961 . . . . 0.0 113.186 172.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.7 t -102.98 -6.44 22.39 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.352 -0.842 . . . . 0.0 110.015 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.43 13.57 75.96 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 118.828 0.74 . . . . 0.0 111.752 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -148.67 154.52 39.78 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -172.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.22 105.91 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 169.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -84.68 156.18 21.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.973 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 122.6 1.19 . . . . 0.0 109.123 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -51.9 -55.56 19.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.719 2.408 . . . . 0.0 110.493 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.26 -26.54 42.38 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 121.455 -0.778 . . . . 0.0 112.926 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -49.49 68.11 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.824 -1.798 . . . . 0.0 111.504 167.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -64.03 -39.52 94.28 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.703 1.201 . . . . 0.0 113.718 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.445 HH21 ' CG ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.623 1.169 . . . . 0.0 112.507 172.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.6 -46.38 79.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 126.203 1.801 . . . . 0.0 111.266 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.91 44.08 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 18.9 pttp -74.04 -31.02 62.71 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.075 -1.016 . . . . 0.0 113.134 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.401 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -72.26 -32.96 67.12 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.153 -0.967 . . . . 0.0 112.667 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.89 -38.44 76.33 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 120.537 -1.352 . . . . 0.0 109.879 164.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.09 38.28 3.62 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.38 173.7 7.77 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 123.397 1.57 . . . . 0.0 111.814 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -92.03 -75.16 0.49 Allowed 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.793 2.037 . . . . 0.0 107.509 -174.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.21 -138.6 0.99 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.76 1.624 . . . . 0.0 112.342 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.42 -158.7 0.12 Allowed 'General case' 0 CA--C 1.511 -0.556 1 N-CA-C 99.512 -4.255 . . . . 0.0 99.512 175.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.02 -38.57 11.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.884 2.129 . . . . 0.0 107.861 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -48.35 -50.26 31.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 129.635 3.174 . . . . 0.0 112.671 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.59 -43.23 71.97 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 113.997 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.5 -43.09 81.72 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.71 -1.244 . . . . 0.0 109.988 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -40.02 95.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.709 1.603 . . . . 0.0 112.006 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -54.11 -49.73 68.46 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.362 1.865 . . . . 0.0 112.18 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.46 -43.53 79.65 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.603 -1.31 . . . . 0.0 113.588 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.83 -52.09 64.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 120.717 -1.24 . . . . 0.0 112.261 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -35.4 80.31 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.815 1.246 . . . . 0.0 112.74 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.63 -58.41 8.46 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.854 -1.154 . . . . 0.0 111.529 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.06 35.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -166.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -74.9 72.18 2.07 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 123.982 1.849 . . . . 0.0 112.612 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -88.76 -6.47 57.39 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.132 1.373 . . . . 0.0 110.797 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.69 -43.45 97.71 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.895 1.278 . . . . 0.0 110.636 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.33 39.46 4.23 Favored Glycine 0 C--N 1.359 1.821 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -107.55 -73.96 0.67 Allowed 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.761 1.625 . . . . 0.0 109.62 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 147.34 -44.84 0.79 Allowed Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -126.12 139.93 52.98 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 122.946 1.355 . . . . 0.0 111.675 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.3 t -81.15 130.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-O 122.582 1.182 . . . . 0.0 112.808 -147.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 84.1 p -76.18 162.3 28.09 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 123.63 1.681 . . . . 0.0 115.066 -170.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.55 -50.65 72.69 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 128.236 2.614 . . . . 0.0 109.67 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -57.03 -47.3 81.22 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.774 1.23 . . . . 0.0 112.915 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.0 -28.93 55.25 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.007 1.276 . . . . 0.0 112.824 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.34 -48.62 79.0 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.23 -0.919 . . . . 0.0 111.65 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.99 -39.37 89.4 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.089 -1.007 . . . . 0.0 111.058 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -57.73 -54.67 44.31 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.067 0.947 . . . . 0.0 113.527 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.89 -36.26 74.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 120.346 1.43 . . . . 0.0 113.204 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 1.4 mmt -73.02 -33.7 65.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.118 -0.989 . . . . 0.0 111.581 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--N 1.353 0.734 0 O-C-N 120.943 -1.098 . . . . 0.0 112.807 170.507 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.633 0.73 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -67.03 -26.76 66.93 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.161 -1.587 . . . . 0.0 112.23 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -41.17 -56.13 2.45 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.75 2.42 . . . . 0.0 112.801 161.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.93 -46.19 25.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 121.339 -0.85 . . . . 0.0 111.455 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.73 -48.65 79.74 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.86 -34.11 62.21 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.869 -1.144 . . . . 0.0 111.674 -173.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.99 -22.81 63.1 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 121.326 0.584 . . . . 0.0 112.278 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -78.96 -52.67 7.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 123.937 0.895 . . . . 0.0 110.796 173.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.88 -34.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.261 1.702 0 O-C-N 120.993 -1.067 . . . . 0.0 112.995 -157.239 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -73.19 -34.88 66.23 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.331 -0.856 . . . . 0.0 111.049 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -54.13 -42.29 69.33 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.981 2.112 . . . . 0.0 113.563 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.96 -44.56 97.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 120.319 -1.488 . . . . 0.0 111.494 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -38.6 78.54 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.73 -1.231 . . . . 0.0 111.992 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -57.87 -49.62 76.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 126.407 1.883 . . . . 0.0 111.655 169.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.13 80.51 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.525 1.13 . . . . 0.0 112.336 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -51.56 -49.82 61.28 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.072 1.349 . . . . 0.0 113.149 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -69.39 -23.36 63.71 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.731 1.212 . . . . 0.0 113.962 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.28 -19.94 45.56 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.166 -1.584 . . . . 0.0 113.235 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.04 -58.84 3.03 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.36 -1.462 . . . . 0.0 108.55 162.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 118' ' ' THR . 54.2 t0 -91.57 92.14 8.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.13 -0.981 . . . . 0.0 111.811 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 54.1 m-20 -76.81 -27.9 55.37 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.918 0.487 . . . . 0.0 112.057 166.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.21 -52.21 13.1 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.23 1.012 . . . . 0.0 111.204 -162.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -103.51 -47.36 4.29 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 123.105 1.431 . . . . 0.0 107.677 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 114' ' ' ASP 0.311 18.8 p 80.48 38.69 0.09 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 127.731 2.412 . . . . 0.0 109.475 -174.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.3 -19.41 0.04 OUTLIER Glycine 0 C--N 1.349 1.254 0 C-N-CA 125.156 1.36 . . . . 0.0 114.123 -168.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -144.19 131.46 20.77 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.832 1.816 . . . . 0.0 111.356 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 94.3 mt -89.36 97.06 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 106.559 165.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m -100.95 -171.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -55.3 -55.79 27.45 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.245 1.418 . . . . 0.0 112.558 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -52.91 -45.98 67.83 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.34 2.256 . . . . 0.0 112.635 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -47.11 61.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 127.95 2.5 . . . . 0.0 109.429 -176.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.47 -45.0 92.88 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.279 -1.513 . . . . 0.0 112.243 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 9.6 3.68 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.409 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 73.6 mtt-85 -77.28 -59.0 2.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.32 -1.488 . . . . 0.0 108.577 160.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -34.72 68.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 121.745 0.783 . . . . 0.0 111.538 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.19 63.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 114.147 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.55 -47.17 15.97 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.96 169.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.9 -39.73 86.36 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-N 120.619 1.554 . . . . 0.0 113.095 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.54 -14.51 59.65 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.997 -1.064 . . . . 0.0 112.616 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.39 -2.68 86.59 Favored Glycine 0 C--N 1.35 1.319 0 O-C-N 121.048 -1.033 . . . . 0.0 113.533 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.79 -37.34 70.45 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 111.813 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 70.06 -67.95 0.22 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.903 1.681 . . . . 0.0 113.082 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp 66.9 157.74 0.12 Allowed 'General case' 0 C--N 1.352 0.701 0 C-N-CA 127.995 2.518 . . . . 0.0 114.211 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 75.9 p -84.0 163.7 19.78 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.62 -1.3 . . . . 0.0 111.251 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.3 -39.63 93.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.507 1.923 . . . . 0.0 111.792 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.12 -52.35 64.64 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.2 1.0 . . . . 0.0 112.383 168.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.02 -47.1 87.24 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.224 -0.922 . . . . 0.0 113.086 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.0 -44.96 79.16 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 121.174 -0.954 . . . . 0.0 112.103 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -65.81 -48.88 70.22 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.534 -0.729 . . . . 0.0 112.482 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -54.86 -42.62 72.25 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.445 1.498 . . . . 0.0 113.666 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.6 mtp -61.15 -32.9 72.61 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.44 -49.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.234 -1.541 . . . . 0.0 110.191 172.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.84 -35.42 70.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.714 1.606 . . . . 0.0 112.644 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.33 -52.2 65.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.949 1.7 . . . . 0.0 113.5 172.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.84 -32.23 40.58 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -160.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -76.51 118.53 19.27 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.276 1.036 . . . . 0.0 109.393 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.41 6.75 13.69 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.412 1.085 . . . . 0.0 108.293 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -125.61 -42.94 1.91 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -148.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 111.97 59.23 0.45 Allowed Glycine 0 C--N 1.352 1.456 0 C-N-CA 123.988 0.804 . . . . 0.0 112.266 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.34 -49.64 2.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.476 1.11 . . . . 0.0 108.04 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 116.29 -32.87 5.4 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.949 1.262 . . . . 0.0 110.035 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -125.48 179.5 5.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.39 110.37 31.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.178 -1.577 . . . . 0.0 110.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.4 p -88.59 -178.64 5.87 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.171 -1.581 . . . . 0.0 111.452 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.11 -36.74 80.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.385 -1.447 . . . . 0.0 112.713 -172.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.637 0.775 . . . . 0.0 111.723 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.51 -47.63 83.1 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.38 1.472 . . . . 0.0 110.245 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.23 -49.53 77.26 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.678 1.191 . . . . 0.0 112.336 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.1 mt -57.15 -47.16 81.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.791 -1.193 . . . . 0.0 112.687 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -55.15 -55.41 31.44 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.347 1.859 . . . . 0.0 112.716 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.4 pt -67.45 -36.83 77.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.026 -1.046 . . . . 0.0 113.212 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 72.0 mtp -69.34 -43.56 73.41 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.633 -1.292 . . . . 0.0 111.868 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.7 tttt . . . . . 0 C--N 1.355 0.817 0 O-C-N 121.01 -1.056 . . . . 0.0 112.457 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -36.29 -60.37 0.57 Allowed 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.927 2.891 . . . . 0.0 115.119 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -37.42 -43.91 0.6 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 128.827 2.851 . . . . 0.0 115.562 170.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.17 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.404 -1.435 . . . . 0.0 112.204 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.83 -53.02 6.85 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.232 1.015 . . . . 0.0 110.195 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.85 -37.49 79.14 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.858 1.263 . . . . 0.0 113.35 -170.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -97.43 14.59 25.82 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.794 1.179 . . . . 0.0 111.768 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -85.9 -55.01 4.16 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 155.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.8 -33.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.263 1.807 0 O-C-N 121.091 -1.006 . . . . 0.0 110.416 -178.122 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 C--O 1.232 0.154 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.81 -41.22 71.87 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.635 -0.665 . . . . 0.0 110.955 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -56.1 -48.39 76.23 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.849 0.86 . . . . 0.0 112.26 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -66.13 -39.42 84.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.111 1.364 . . . . 0.0 111.23 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -45.47 92.67 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.691 -1.255 . . . . 0.0 112.922 170.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -49.5 77.44 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.694 -1.254 . . . . 0.0 111.64 171.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.7 76.07 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.597 1.559 . . . . 0.0 112.976 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.79 -48.63 72.48 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.888 1.675 . . . . 0.0 112.278 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.83 -34.13 69.05 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.541 -1.349 . . . . 0.0 113.145 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.59 -34.35 78.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.537 -1.352 . . . . 0.0 112.763 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.83 -56.45 21.68 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.882 -1.136 . . . . 0.0 111.654 159.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -72.1 70.38 0.79 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.325 1.535 . . . . 0.0 114.905 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.26 -34.69 63.68 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.766 2.826 . . . . 0.0 109.744 170.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.68 -38.73 91.51 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 120.987 -1.071 . . . . 0.0 110.072 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.289 8.7 mt-10 74.74 57.17 0.07 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.372 1.869 . . . . 0.0 108.037 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -103.19 -19.21 14.59 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.664 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.17 -3.56 55.07 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 124.667 1.127 . . . . 0.0 111.64 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -143.5 156.68 44.69 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.528 1.131 . . . . 0.0 109.077 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.7 mt -83.14 85.82 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-O 124.502 2.096 . . . . 0.0 107.341 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 t -70.59 159.09 34.99 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 114.44 -1.255 . . . . 0.0 112.613 173.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.35 -36.09 41.37 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 125.0 1.32 . . . . 0.0 112.564 160.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -56.23 -48.88 75.61 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.961 1.704 . . . . 0.0 111.182 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -72.72 -40.56 66.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.009 1.723 . . . . 0.0 110.782 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -54.17 44.8 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 125.637 1.575 . . . . 0.0 112.377 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -24.59 59.59 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 11.3 tpt180 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.376 0.671 . . . . 0.0 110.071 162.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.59 -43.94 55.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 124.649 1.179 . . . . 0.0 113.785 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.23 64.05 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.45 -31.37 42.47 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.166 -0.959 . . . . 0.0 113.372 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 54.7 mm-40 -61.92 -36.07 80.25 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.209 1.004 . . . . 0.0 112.881 171.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.9 -46.55 35.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.959 -1.088 . . . . 0.0 110.6 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.06 9.91 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.46 141.64 28.54 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 122.502 1.144 . . . . 0.0 110.641 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.708 -1.245 . . . . 0.0 114.096 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.44 HD23 ' H ' ' A' ' 137' ' ' LEU . 1.6 pt? -91.22 144.47 25.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 122.38 1.086 . . . . 0.0 110.207 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.86 150.32 21.11 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.211 1.404 . . . . 0.0 110.017 -166.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -35.96 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.247 1.819 . . . . 0.0 115.419 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.06 -42.63 94.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.69 1.596 . . . . 0.0 112.94 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.5 -39.69 85.18 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.488 1.515 . . . . 0.0 110.338 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.63 -40.35 95.31 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.441 -1.412 . . . . 0.0 111.724 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -40.58 98.11 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.03 -1.043 . . . . 0.0 111.541 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.62 -49.33 65.31 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.085 1.354 . . . . 0.0 112.603 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.6 mtp -57.41 -39.78 76.89 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.072 -1.018 . . . . 0.0 113.368 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.87 -47.82 77.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.531 -1.356 . . . . 0.0 111.498 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.181 1.393 . . . . 0.0 111.826 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.35 -57.84 10.87 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 125.19 1.396 . . . . 0.0 112.506 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.06 -38.9 26.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -85.28 80.16 9.27 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 119.905 -1.747 . . . . 0.0 107.314 168.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 39.1 ptt85 -61.56 -26.87 68.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.654 2.382 . . . . 0.0 113.935 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 77.4 m-20 -92.01 -40.51 11.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 92.4 67.11 1.11 Allowed Glycine 0 C--N 1.357 1.698 0 O-C-N 121.739 -0.601 . . . . 0.0 113.446 164.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -154.93 -69.44 0.13 Allowed 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.969 -0.724 . . . . 0.0 111.536 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.89 10.28 74.39 Favored Glycine 0 CA--C 1.497 -1.073 0 C-N-CA 124.813 1.197 . . . . 0.0 114.287 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.544 8.2 pt-20 65.34 -175.06 0.18 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.447 1.899 . . . . 0.0 113.289 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.09 106.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 124.419 2.057 . . . . 0.0 112.019 -149.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.4 m -94.51 160.54 14.6 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.138 -1.846 . . . . 0.0 112.024 -161.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' A' ' 159' ' ' GLU . 1.1 mp0 -37.86 -65.2 0.34 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 131.047 3.739 . . . . 0.0 113.844 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.75 -16.17 61.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.785 1.234 . . . . 0.0 113.591 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -84.84 -42.79 14.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 121.173 -0.954 . . . . 0.0 110.265 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.36 -39.15 75.38 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.571 1.149 . . . . 0.0 111.267 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.42 -25.35 68.24 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.28 -58.71 5.75 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.757 1.617 . . . . 0.0 110.894 168.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.16 -28.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.832 -0.542 . . . . 0.0 111.826 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 26.2 mmt -85.6 -52.15 6.0 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp . . . . . 0 C--N 1.357 0.897 0 O-C-N 120.226 -1.546 . . . . 0.0 113.564 -168.786 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 123.521 1.629 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -62.3 -31.59 72.21 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.338 1.855 . . . . 0.0 110.939 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -40.14 -54.6 2.27 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 127.33 2.252 . . . . 0.0 113.524 163.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -83.5 -44.14 15.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 121.722 -0.611 . . . . 0.0 111.264 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.1 -47.7 70.4 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.793 -1.192 . . . . 0.0 113.482 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -72.98 -39.44 66.09 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.147 -0.971 . . . . 0.0 110.23 -172.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -76.03 -7.33 54.43 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -90.2 -48.94 6.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 123.757 0.823 . . . . 0.0 109.095 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.63 -32.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.162 -1.586 . . . . 0.0 114.81 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.995 -1.478 . . . . 0.0 111.773 -178.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.95 -31.82 63.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.296 -1.503 . . . . 0.0 111.375 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.37 -47.66 81.15 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.201 -0.937 . . . . 0.0 111.228 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.11 -44.95 92.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.594 1.558 . . . . 0.0 111.475 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.87 -40.24 96.91 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.317 -1.489 . . . . 0.0 113.584 172.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.31 -47.04 87.71 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.568 -1.332 . . . . 0.0 110.614 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.08 79.19 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -54.09 -46.29 72.02 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -70.48 -18.77 62.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.13 1.529 . . . . 0.0 115.13 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 -29.8 42.53 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.559 -1.963 . . . . 0.0 110.67 171.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.63 -69.1 0.53 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 123.525 0.73 . . . . 0.0 110.131 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.26 94.46 5.08 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.745 -1.222 . . . . 0.0 109.173 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -23.55 -71.73 0.02 OUTLIER 'General case' 0 C--N 1.364 1.218 0 C-N-CA 128.554 2.742 . . . . 0.0 113.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.89 46.79 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 154.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.84 -38.54 11.69 Favored 'General case' 0 C--N 1.36 1.046 0 O-C-N 121.511 -0.743 . . . . 0.0 112.276 -166.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -33.97 4.64 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 171.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.55 14.24 66.11 Favored Glycine 0 C--N 1.356 1.69 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -140.32 132.66 28.34 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 80.4 mt -73.94 108.09 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 O-C-N 119.674 -1.891 . . . . 0.0 110.42 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t -86.99 168.9 12.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.656 1.582 . . . . 0.0 111.774 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -57.5 -49.04 77.62 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.696 1.598 . . . . 0.0 110.826 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -56.19 -41.8 76.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.736 1.614 . . . . 0.0 112.616 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -88.41 -26.7 22.01 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.675 0.79 . . . . 0.0 111.846 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.89 -36.93 84.96 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.649 -1.907 . . . . 0.0 111.645 160.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -69.6 -18.03 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 119.198 -2.189 . . . . 0.0 114.275 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -64.37 -48.82 74.02 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.222 -1.549 . . . . 0.0 112.263 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.511 HG23 HD23 ' B' ' 651' ' ' LEU . 2.1 p -60.82 -37.76 77.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.887 1.221 . . . . 0.0 111.838 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.92 -42.81 65.75 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 168.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -82.19 -24.52 34.9 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.04 -1.663 . . . . 0.0 113.877 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -57.02 -45.91 82.73 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 127.012 2.125 . . . . 0.0 110.775 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.31 -41.98 55.64 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.71 1.204 . . . . 0.0 111.637 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.64 37.63 2.75 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 121.244 -0.91 . . . . 0.0 111.02 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -93.16 -158.46 0.61 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.546 1.165 . . . . 0.0 110.685 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -125.7 -81.4 0.62 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.175 -1.578 . . . . 0.0 107.621 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.5 mp 72.01 146.24 0.07 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.809 2.044 . . . . 0.0 113.759 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.2 p -92.18 172.69 8.26 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.784 -1.197 . . . . 0.0 108.256 167.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -68.99 -33.52 73.81 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.133 1.773 . . . . 0.0 110.77 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.42 -59.03 2.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 129.185 2.994 . . . . 0.0 112.375 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -54.72 -54.54 40.51 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.308 1.843 . . . . 0.0 112.412 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.18 -46.12 91.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 121.011 -1.055 . . . . 0.0 111.677 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.45 -53.12 59.5 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.356 -0.84 . . . . 0.0 112.345 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.78 -36.13 82.89 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.742 -1.224 . . . . 0.0 112.701 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.4 mtm -57.79 -46.13 85.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 169.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.3 -54.66 30.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 O-C-N 121.405 -0.809 . . . . 0.0 111.693 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -58.17 -33.0 68.75 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.946 1.298 . . . . 0.0 113.46 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.1 -22.7 41.89 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.599 -1.313 . . . . 0.0 112.539 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.2 -70.72 0.35 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.1 105.93 16.19 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.341 1.428 . . . . 0.0 112.191 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -70.73 -47.73 58.19 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -155.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.56 46.45 2.64 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -98.33 -108.77 2.79 Favored Glycine 0 C--N 1.358 1.801 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -163.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -142.17 -47.32 0.35 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 122.293 -0.533 . . . . 0.0 109.837 -155.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.79 -37.35 2.61 Favored Glycine 0 CA--C 1.493 -1.314 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 -166.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.76 146.82 34.31 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 123.187 1.47 . . . . 0.0 108.846 167.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.4 t -92.58 108.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 120.727 -1.233 . . . . 0.0 111.444 -161.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 p -70.99 176.17 4.57 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.25 -1.531 . . . . 0.0 113.374 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.31 69.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.963 1.705 . . . . 0.0 112.206 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -57.35 -49.8 75.01 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 125.208 1.403 . . . . 0.0 112.773 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.46 -29.64 52.89 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.103 0.561 . . . . 0.0 111.233 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -58.14 -50.09 74.71 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.551 1.141 . . . . 0.0 111.173 163.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.73 -39.54 89.02 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.874 -1.141 . . . . 0.0 113.259 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -60.49 -50.51 73.26 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.349 -1.469 . . . . 0.0 112.001 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.429 -0.794 . . . . 0.0 112.347 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 23.7 mmt -73.46 -30.84 63.44 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.373 -1.454 . . . . 0.0 112.597 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp . . . . . 0 C--N 1.354 0.764 0 O-C-N 120.541 -1.349 . . . . 0.0 113.287 175.58 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . 0.511 HD23 HG23 ' A' ' 129' ' ' VAL . 14.7 tp . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.1 -26.89 68.41 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 125.057 1.343 . . . . 0.0 110.604 169.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -56.8 -41.05 77.04 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.922 -1.111 . . . . 0.0 112.349 167.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.17 -54.5 8.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.096 -1.002 . . . . 0.0 110.632 173.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.56 -43.68 98.42 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.11 -38.16 72.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.621 -1.299 . . . . 0.0 111.18 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.28 -18.57 63.12 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.093 0.861 . . . . 0.0 113.11 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -71.11 -51.99 21.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.229 1.011 . . . . 0.0 109.527 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.6 p -83.46 -36.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.715 -173.762 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 mptt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.09 -30.66 60.97 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.346 -1.471 . . . . 0.0 110.774 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -59.67 -43.5 93.96 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 123.967 0.907 . . . . 0.0 111.577 170.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.55 -47.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 112.213 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.49 -1.381 . . . . 0.0 112.632 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -53.75 51.1 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.342 1.457 . . . . 0.0 111.54 170.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.26 73.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.43 1.892 . . . . 0.0 113.798 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.34 -43.86 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.693 1.197 . . . . 0.0 112.143 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -18.81 54.98 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 176.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -75.2 -39.12 60.42 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.779 -1.826 . . . . 0.0 110.053 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.466 ' HA ' HG21 ' A' ' 129' ' ' VAL . 34.7 m-85 -61.97 -65.86 0.63 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.412 1.085 . . . . 0.0 112.476 167.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -85.31 80.25 9.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.581 1.181 . . . . 0.0 109.444 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.427 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 21.6 t70 -96.36 18.42 13.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.188 1.47 . . . . 0.0 109.685 174.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.01 3.66 30.83 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.044 1.338 . . . . 0.0 108.371 172.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 55.73 44.51 26.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.565 1.946 . . . . 0.0 115.066 169.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.1 t -111.84 -25.54 9.4 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 110.676 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 110.76 -2.06 28.92 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 121.577 -0.702 . . . . 0.0 113.186 168.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -139.06 149.8 45.01 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 103.0 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.808 -1.183 . . . . 0.0 108.758 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -68.92 161.15 29.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.652 0.739 . . . . 0.0 111.513 170.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -53.04 -46.15 68.34 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.899 1.28 . . . . 0.0 111.992 171.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -54.83 -41.77 71.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.053 1.341 . . . . 0.0 113.309 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.91 -34.61 33.33 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.893 1.277 . . . . 0.0 108.348 -170.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.94 -53.81 54.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.541 1.136 . . . . 0.0 111.684 166.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.299 32.9 pttt -72.58 -20.85 61.23 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.427 ' NH2' ' OD2' ' A' ' 115' ' ' ASP . 76.1 ttt180 -54.33 -51.98 63.0 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 110.99 163.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 113' ' ' PHE . 44.0 t -55.51 -46.94 79.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.152 -0.968 . . . . 0.0 112.331 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.45 69.46 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -75.62 -22.38 56.9 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.318 -1.489 . . . . 0.0 113.214 176.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.403 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -72.63 -39.7 67.03 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.693 1.197 . . . . 0.0 112.226 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.63 -46.03 64.07 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.932 -1.105 . . . . 0.0 110.857 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.63 68.51 0.66 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -72.85 174.78 7.24 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.98 60.92 0.85 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 159.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.426 2.6 pt? -112.13 -53.65 2.69 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.053 171.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 139' ' ' ASP 0.313 1.2 m 106.96 160.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.971 2.908 . . . . 0.0 110.888 177.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.584 ' H ' HG22 ' A' ' 138' ' ' THR . 0.8 OUTLIER -48.75 -39.68 25.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 129.346 3.058 . . . . 0.0 116.793 -177.39 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.89 -46.32 53.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.577 1.179 . . . . 0.0 110.916 -168.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.2 pm0 -71.75 -29.32 64.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.429 -1.419 . . . . 0.0 111.73 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.39 -37.13 86.43 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.357 -2.089 . . . . 0.0 113.25 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -64.31 -38.59 91.59 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.422 -1.424 . . . . 0.0 110.88 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -54.43 -43.64 71.76 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.384 -0.822 . . . . 0.0 112.887 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mtp -57.11 -41.83 79.73 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.82 -1.175 . . . . 0.0 113.455 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.79 -50.14 80.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.481 -1.387 . . . . 0.0 111.96 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -39.49 92.87 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 112.504 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.01 -55.11 38.08 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.735 1.614 . . . . 0.0 112.091 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.44 50.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -82.89 67.04 8.8 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.303 -1.498 . . . . 0.0 109.728 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.402 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 9.8 mtp-105 -53.83 -49.46 68.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.355 2.262 . . . . 0.0 114.065 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.402 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 62.1 m-20 -94.09 -19.97 20.34 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.085 0.554 . . . . 0.0 110.628 -168.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.07 63.55 0.99 Allowed Glycine 0 C--N 1.358 1.773 0 O-C-N 121.242 -0.911 . . . . 0.0 111.605 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.13 -38.26 36.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.392 1.877 . . . . 0.0 108.27 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 134.85 -37.29 1.96 Allowed Glycine 0 C--N 1.356 1.678 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -148.42 173.12 13.42 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.68 110.71 18.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-O 123.268 1.509 . . . . 0.0 109.209 -172.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.1 p -100.98 177.31 4.99 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -151.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.87 -51.5 63.45 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 127.818 2.447 . . . . 0.0 110.734 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.37 -49.99 67.23 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.142 0.977 . . . . 0.0 112.285 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.89 -32.06 61.74 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 120.295 -1.503 . . . . 0.0 112.753 -169.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.97 -44.22 96.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.603 -0.685 . . . . 0.0 110.943 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.41 -28.62 68.07 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.846 -1.159 . . . . 0.0 113.773 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -62.24 -63.25 1.3 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.194 1.361 . . . . 0.0 111.177 165.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.15 -22.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 120.525 -1.359 . . . . 0.0 113.474 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.8 mmt -100.62 10.78 40.72 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.473 1.109 . . . . 0.0 113.411 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . 0.281 0.2 OUTLIER . . . . . 0 C--N 1.362 1.152 0 O-C-N 119.916 -1.74 . . . . 0.0 109.2 168.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.231 0.126 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -59.89 -41.4 91.55 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.349 -1.469 . . . . 0.0 110.467 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -30.03 -59.62 0.17 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 130.109 3.364 . . . . 0.0 114.896 156.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.43 -36.99 52.62 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.334 1.054 . . . . 0.0 111.172 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.63 -46.84 88.78 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.626 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -70.85 -37.86 73.15 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.206 -0.934 . . . . 0.0 112.863 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.17 -15.53 62.53 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.224 -1.547 . . . . 0.0 113.745 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -85.56 -63.84 1.26 Allowed 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 124.888 1.275 . . . . 0.0 109.944 163.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.93 -17.47 8.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -162.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.26 1.647 0 O-C-N 120.739 -1.226 . . . . 0.0 109.966 -177.002 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.1 tptt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.38 -57.74 10.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.701 1.201 . . . . 0.0 110.715 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -59.5 -39.64 84.44 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -67.19 -43.58 88.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 O-C-N 120.468 -1.395 . . . . 0.0 111.515 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.66 -42.77 98.05 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.301 -1.499 . . . . 0.0 111.733 173.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -57.49 -49.22 76.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.235 1.414 . . . . 0.0 111.828 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.97 84.54 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 121.071 -1.018 . . . . 0.0 112.859 171.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.49 -48.13 77.81 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.353 1.061 . . . . 0.0 112.872 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.9 -27.76 61.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.714 -1.241 . . . . 0.0 113.195 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.165 -1.584 . . . . 0.0 111.982 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.405 ' CD2' HG11 ' A' ' 129' ' ' VAL . 5.0 m-85 -64.8 -58.14 7.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.154 -0.966 . . . . 0.0 111.246 162.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -74.29 54.04 0.54 Allowed 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.663 1.585 . . . . 0.0 112.058 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -54.81 -34.87 63.27 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.667 3.187 . . . . 0.0 110.42 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -81.06 -8.75 59.84 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 53.0 55.67 8.61 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.689 2.395 . . . . 0.0 114.044 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 t -111.38 -9.45 14.25 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.55 -20.03 52.04 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 120.389 -1.444 . . . . 0.0 113.465 167.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -138.91 135.43 34.43 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.0 mt -75.83 97.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 120.613 -1.304 . . . . 0.0 108.453 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m -67.23 167.48 12.15 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.055 1.742 . . . . 0.0 112.959 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.95 -50.18 67.04 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.954 1.302 . . . . 0.0 112.673 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -64.72 -36.83 85.55 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 121.052 -1.03 . . . . 0.0 112.526 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.69 -40.86 72.65 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 123.66 0.784 . . . . 0.0 110.394 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.34 -44.34 88.7 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.681 -1.262 . . . . 0.0 112.021 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -28.25 62.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.807 -1.183 . . . . 0.0 113.265 176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -56.84 -59.67 4.7 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.529 -1.357 . . . . 0.0 112.107 165.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.405 HG11 ' CD2' ' A' ' 113' ' ' PHE . 8.6 p -58.36 -39.15 73.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 120.443 -1.41 . . . . 0.0 112.38 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.59 75.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.72 -54.08 50.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.61 -1.306 . . . . 0.0 111.929 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -32.1 64.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 121.012 0.434 . . . . 0.0 111.615 -166.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.01 -48.06 63.97 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.065 1.346 . . . . 0.0 110.665 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.69 68.72 0.44 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -77.86 -167.61 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -175.21 37.77 0.01 OUTLIER 'General case' 0 C--N 1.351 0.67 0 C-N-CA 125.956 1.703 . . . . 0.0 108.079 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.5 -132.18 0.29 Allowed 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 53.9 m -166.12 160.48 16.33 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.18 -34.67 23.41 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 128.215 2.606 . . . . 0.0 114.758 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.46 -56.71 18.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.752 2.021 . . . . 0.0 111.958 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -53.43 -47.61 69.48 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.85 1.66 . . . . 0.0 112.763 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.65 -37.58 82.0 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.61 -1.307 . . . . 0.0 113.0 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.37 -39.32 85.68 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.396 -1.44 . . . . 0.0 112.014 172.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -66.66 -39.61 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.023 -1.048 . . . . 0.0 111.798 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.6 mtp -57.46 -46.77 83.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.826 -1.171 . . . . 0.0 113.176 167.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.8 mm -57.07 -48.26 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 O-C-N 120.146 -1.596 . . . . 0.0 112.389 170.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.412 ' OD1' ' NH2' ' A' ' 151' ' ' ARG . 8.3 t70 -57.03 -49.44 75.82 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.954 1.252 . . . . 0.0 111.492 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -38.4 -47.51 1.25 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.095 1.758 . . . . 0.0 113.482 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.11 -63.84 1.32 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 166.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -89.95 95.44 10.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.85 2.06 . . . . 0.0 110.385 -166.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.412 ' NH2' ' OD1' ' A' ' 147' ' ' ASP . 13.1 mmp_? -61.21 -49.42 77.22 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.051 1.74 . . . . 0.0 112.411 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.5 -44.83 93.01 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 127.429 2.291 . . . . 0.0 110.735 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.3 -21.52 37.17 Favored Glycine 0 C--N 1.357 1.704 0 O-C-N 121.466 -0.771 . . . . 0.0 112.311 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -96.75 -53.52 3.52 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 125.973 1.709 . . . . 0.0 109.983 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -80.25 52.03 4.24 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.189 1.376 . . . . 0.0 115.64 -167.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -9.45 171.95 0.0 OUTLIER 'General case' 0 C--N 1.352 0.713 1 C-N-CA 135.803 5.641 . . . . 0.0 121.483 174.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.8 t -92.4 103.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 O-C-N 117.059 -3.526 . . . . 0.0 113.537 -153.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 91.5 p -86.03 -178.83 6.64 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.671 -1.893 . . . . 0.0 111.322 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -63.97 -30.44 71.52 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -70.59 -41.39 72.41 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.862 -1.149 . . . . 0.0 111.925 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -66.34 -40.5 89.9 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.016 -1.053 . . . . 0.0 109.904 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.71 -52.25 66.31 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.089 1.755 . . . . 0.0 111.576 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.99 -47.54 64.86 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.564 -1.335 . . . . 0.0 112.436 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.71 -54.45 44.13 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 124.111 0.964 . . . . 0.0 113.26 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.44 -17.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 90.8 mmm -73.72 -45.93 49.16 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.586 -1.321 . . . . 0.0 110.619 167.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 C--N 1.352 0.706 0 O-C-N 121.257 -0.902 . . . . 0.0 112.708 178.708 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.42 -36.19 73.22 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 125.526 1.53 . . . . 0.0 110.039 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -11.63 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 130.637 3.575 . . . . 0.0 115.396 152.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -90.32 -35.46 15.24 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.131 -174.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.8 -35.21 78.23 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.074 -1.016 . . . . 0.0 111.944 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -41.35 66.18 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 120.98 -1.075 . . . . 0.0 111.134 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.09 62.78 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.11 -1.618 . . . . 0.0 112.821 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.86 -60.82 2.04 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 124.014 0.926 . . . . 0.0 110.382 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.84 -36.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.256 1.419 0 O-C-N 120.792 -1.192 . . . . 0.0 113.704 -162.027 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.25 -38.57 78.51 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.848 -1.157 . . . . 0.0 112.145 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH2' ' B' ' 653' ' ' ARG . 7.9 tt0 -68.5 -35.29 77.3 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.486 -1.384 . . . . 0.0 111.577 172.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.7 -52.49 56.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 O-C-N 120.536 -1.352 . . . . 0.0 111.38 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.9 mt -57.34 -45.04 84.7 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.434 -1.416 . . . . 0.0 113.612 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -59.98 -45.11 93.77 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.919 -1.113 . . . . 0.0 112.317 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.3 91.03 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.904 1.282 . . . . 0.0 112.047 173.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.82 -45.58 74.44 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 121.083 -1.011 . . . . 0.0 112.096 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -68.53 -27.1 65.8 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.8 mt -69.79 -28.17 65.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.426 -1.421 . . . . 0.0 113.059 171.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -85.12 -46.08 11.46 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.438 -0.789 . . . . 0.0 110.797 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -89.88 71.95 7.55 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.732 -1.855 . . . . 0.0 111.335 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -40.41 86.64 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.894 1.678 . . . . 0.0 111.835 170.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.418 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 55.2 m-20 -80.1 -10.76 59.78 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.468 1.107 . . . . 0.0 111.221 -164.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 68.87 47.22 0.81 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.697 1.599 . . . . 0.0 111.9 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -97.99 -12.47 21.92 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.437 -0.789 . . . . 0.0 110.86 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.91 13.51 74.75 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 120.965 -1.085 . . . . 0.0 112.217 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -136.94 150.69 48.34 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 82.1 mt -101.07 100.67 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 160.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -81.55 179.39 7.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.249 1.023 . . . . 0.0 111.417 169.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -60.47 -36.14 77.55 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.546 -1.346 . . . . 0.0 111.372 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.15 -43.4 98.95 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.42 -1.425 . . . . 0.0 111.144 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -68.97 -38.66 79.5 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 111.786 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -57.58 -50.31 73.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.96 0.904 . . . . 0.0 111.286 167.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 ttmm -59.97 -39.52 85.93 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.871 -1.143 . . . . 0.0 113.961 174.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.418 ' NH2' ' OD2' ' A' ' 116' ' ' ASP . 28.7 mmt85 -49.62 -53.69 22.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.436 1.471 . . . . 0.0 112.647 173.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.14 -39.6 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 111.375 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -58.45 -37.24 75.04 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -17.51 49.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.008 1.276 . . . . 0.0 114.109 174.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -77.07 -34.18 57.04 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.545 -1.347 . . . . 0.0 110.781 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.22 -49.03 38.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.348 -0.845 . . . . 0.0 110.023 165.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.68 104.39 2.82 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.93 113.16 2.64 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -108.89 14.88 23.9 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -132.41 153.55 50.7 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 m -80.26 156.63 26.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.946 0.879 . . . . 0.0 111.008 -172.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.37 -33.53 63.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.513 2.325 . . . . 0.0 113.683 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.87 -39.31 58.75 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.101 2.16 . . . . 0.0 113.424 168.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -75.25 -40.81 58.54 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.854 -1.154 . . . . 0.0 110.456 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 126' ' ' LEU . 1.1 mm? -61.68 -40.57 95.45 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 120.722 -1.236 . . . . 0.0 111.589 172.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.36 -47.81 84.45 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.933 1.293 . . . . 0.0 112.636 170.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -56.44 -43.64 79.66 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.366 1.466 . . . . 0.0 112.492 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.7 mtp -54.84 -44.14 73.68 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.682 -1.261 . . . . 0.0 113.897 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.5 mm -62.79 -49.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.998 -1.064 . . . . 0.0 111.646 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.64 -43.1 97.78 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.187 0.995 . . . . 0.0 112.581 -174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -26.71 63.07 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.465 -1.397 . . . . 0.0 112.185 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.48 -59.67 3.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.8 -2.438 . . . . 0.0 113.214 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -69.49 97.44 1.0 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-O 123.384 1.564 . . . . 0.0 113.445 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -37.64 14.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 126.761 2.025 . . . . 0.0 107.71 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 -43.52 95.58 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.471 1.508 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.04 67.07 0.93 Allowed Glycine 0 C--N 1.353 1.509 0 O-C-N 121.421 -0.799 . . . . 0.0 112.171 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -105.43 -52.28 2.86 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.449 1.5 . . . . 0.0 107.527 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.71 -41.99 1.54 Allowed Glycine 0 CA--C 1.495 -1.188 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -115.13 158.74 21.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 122.658 1.218 . . . . 0.0 108.085 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.11 113.07 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 O-C-N 120.205 -1.559 . . . . 0.0 109.575 -167.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.2 p -84.85 163.46 19.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.342 1.057 . . . . 0.0 111.085 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 0.2 OUTLIER -68.49 -30.04 68.78 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.197 -1.564 . . . . 0.0 113.407 -169.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -59.09 -33.75 71.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.144 1.778 . . . . 0.0 113.869 170.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.72 -48.05 12.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.486 1.114 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -51.08 -49.41 60.72 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 125.898 1.679 . . . . 0.0 112.267 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -65.59 -48.93 70.67 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 120.575 -1.328 . . . . 0.0 112.496 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -70.11 -28.91 37.78 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 121.588 -0.695 . . . . 0.0 111.219 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 20.6 mmt -69.97 -47.47 62.14 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.491 -0.756 . . . . 0.0 112.168 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.358 0.973 0 C-N-CA 125.011 1.324 . . . . 0.0 113.136 177.106 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.513 -0.445 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -75.51 -6.85 52.27 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.824 -1.172 . . . . 0.0 112.668 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH2' ' OE1' ' A' ' 105' ' ' GLU . 12.1 mmt180 -56.29 -57.99 9.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.812 2.045 . . . . 0.0 110.73 161.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.76 -43.3 59.41 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.356 1.462 . . . . 0.0 110.698 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.79 -36.28 83.08 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 113.092 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -71.95 -41.22 68.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.654 -1.278 . . . . 0.0 112.253 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.78 -24.5 66.2 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.427 -0.796 . . . . 0.0 111.594 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -106.04 29.68 6.51 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 124.485 1.114 . . . . 0.0 111.454 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . 0.32 52.6 t 136.58 -51.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 128.43 2.692 . . . . 0.0 111.901 154.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.265 1.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -150.226 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -82.19 -34.2 29.11 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.627 -1.296 . . . . 0.0 110.847 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH1' ' B' ' 653' ' ' ARG . 13.8 tp10 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.068 1.747 . . . . 0.0 111.736 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.93 -39.51 84.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 O-C-N 121.12 -0.987 . . . . 0.0 111.553 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.45 -44.71 92.9 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.396 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -58.79 -56.74 18.28 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.358 -0.839 . . . . 0.0 111.92 168.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.73 82.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.67 -39.98 88.39 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.635 -1.291 . . . . 0.0 109.996 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -33.38 74.5 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.88 -41.06 83.36 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.037 -1.039 . . . . 0.0 112.867 170.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.52 -51.0 13.98 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.853 -1.155 . . . . 0.0 113.173 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.14 99.09 6.82 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.932 -1.105 . . . . 0.0 110.504 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -68.61 -50.92 47.78 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.004 2.121 . . . . 0.0 112.287 -166.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -87.65 -4.55 58.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.62 1.568 . . . . 0.0 110.836 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.353 15.8 pt-20 49.43 57.44 6.5 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.321 2.648 . . . . 0.0 114.978 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -83.46 -14.13 53.19 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.302 -0.874 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.62 28.2 8.07 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -149.21 126.1 11.2 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.04 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.924 -1.735 . . . . 0.0 107.187 164.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.1 p -79.08 167.06 21.59 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.227 1.011 . . . . 0.0 111.575 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.03 -39.81 79.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.031 0.932 . . . . 0.0 111.35 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.87 1.268 . . . . 0.0 111.553 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -75.21 -30.31 60.57 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 121.562 0.696 . . . . 0.0 110.76 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -52.54 65.33 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.344 -1.472 . . . . 0.0 112.242 164.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.46 -35.61 76.29 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 119.918 -1.739 . . . . 0.0 113.059 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -56.09 26.28 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.88 1.272 . . . . 0.0 111.542 168.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.53 -34.35 69.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.247 -1.533 . . . . 0.0 112.692 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.16 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 120.569 -1.332 . . . . 0.0 113.39 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.83 -30.09 67.52 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.312 -1.493 . . . . 0.0 113.443 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.06 -38.61 82.64 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.196 0.907 . . . . 0.0 112.24 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -42.71 81.78 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.774 -1.204 . . . . 0.0 111.077 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.08 58.63 0.78 Allowed Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 153.38 43.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.06 63.14 1.6 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 168.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.81 -126.14 0.16 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.3 m -145.4 -108.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 101.546 -3.502 . . . . 0.0 101.546 156.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -132.59 -30.88 1.41 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 121.223 1.829 . . . . 0.0 111.394 167.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -52.03 -45.92 64.81 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 128.574 2.75 . . . . 0.0 112.601 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -54.2 -51.32 64.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.205 1.802 . . . . 0.0 113.551 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.2 -21.55 42.83 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 119.936 -1.727 . . . . 0.0 111.998 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -42.28 81.39 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.651 -1.28 . . . . 0.0 110.909 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.71 -47.31 77.07 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 111.04 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 98.7 mtp -50.53 -49.78 54.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 170.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.53 -54.68 28.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 124.304 1.041 . . . . 0.0 112.535 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.33 -36.28 82.5 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.783 0.833 . . . . 0.0 112.691 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.88 -40.38 91.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.833 -1.167 . . . . 0.0 110.809 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.77 20.89 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 120.755 -1.216 . . . . 0.0 112.866 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.64 45.87 0.42 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-O 123.572 1.653 . . . . 0.0 111.816 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 32.8 ttm105 -61.42 -32.31 72.27 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.641 1.976 . . . . 0.0 112.684 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -128.07 14.03 6.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.253 1.021 . . . . 0.0 110.497 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.8 -124.56 5.36 Favored Glycine 0 C--N 1.361 1.921 0 N-CA-C 117.43 1.732 . . . . 0.0 117.43 -155.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.21 42.78 0.94 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-O 122.169 0.985 . . . . 0.0 109.965 -165.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.62 -38.7 2.49 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 119.294 -2.128 . . . . 0.0 112.832 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -125.62 142.38 51.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 127.105 2.162 . . . . 0.0 106.379 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 126.82 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-O 122.036 0.922 . . . . 0.0 111.52 -155.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 p -76.34 168.66 19.66 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.808 1.243 . . . . 0.0 111.998 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.82 -39.46 94.27 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.03 -1.044 . . . . 0.0 113.256 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.83 -38.99 80.22 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.779 -1.201 . . . . 0.0 111.263 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.76 -39.37 80.29 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.623 -1.298 . . . . 0.0 110.271 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.5 -49.72 76.7 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.385 1.074 . . . . 0.0 112.148 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.59 -50.58 53.48 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.573 1.149 . . . . 0.0 113.478 170.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -55.78 -50.33 70.75 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.042 0.937 . . . . 0.0 113.457 176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.428 HD13 ' CG ' ' B' ' 658' ' ' TRP 0.295 2.0 pp -74.02 -29.21 24.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 178.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.93 66.53 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.679 -1.263 . . . . 0.0 111.744 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.554 169.719 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 122.666 1.222 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -63.71 -26.97 68.89 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.822 1.649 . . . . 0.0 112.399 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' A' ' 105' ' ' GLU . 92.5 mtt180 -42.55 -59.95 1.71 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.652 1.581 . . . . 0.0 112.659 165.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.69 83.76 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 124.795 1.238 . . . . 0.0 111.781 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.23 -48.66 41.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.622 -0.674 . . . . 0.0 112.291 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.37 -44.64 71.12 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.796 -1.19 . . . . 0.0 111.679 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -87.27 5.82 36.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.253 -0.904 . . . . 0.0 111.659 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . 0.428 ' CG ' HD13 ' A' ' 165' ' ' ILE . 1.2 t90 -78.03 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.633 -1.292 . . . . 0.0 107.643 156.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.05 -46.39 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -169.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.26 1.646 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -171.025 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 CA--C 1.509 -0.632 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.3 -36.7 71.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 170.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -67.02 -40.6 87.27 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 117.818 -3.051 . . . . 0.0 112.46 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.84 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 120.913 -1.117 . . . . 0.0 110.832 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.29 -40.98 92.38 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.222 1.809 . . . . 0.0 113.142 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -62.34 -43.24 99.3 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.216 1.807 . . . . 0.0 112.732 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.71 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.402 -0.811 . . . . 0.0 111.71 169.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -55.78 -43.29 76.62 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.479 1.512 . . . . 0.0 113.136 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -55.92 -38.14 69.87 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.753 2.421 . . . . 0.0 114.025 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.211 1.004 . . . . 0.0 111.577 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -66.9 -52.92 37.47 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.376 -0.827 . . . . 0.0 112.543 167.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.08 54.77 0.55 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.446 1.498 . . . . 0.0 114.398 -173.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 47.4 t0 -41.12 -45.49 2.76 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 131.157 3.783 . . . . 0.0 113.888 172.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -89.56 -4.39 57.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.125 1.37 . . . . 0.0 111.941 -166.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 61.49 62.84 1.26 Allowed 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.745 1.618 . . . . 0.0 112.179 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -129.7 -17.88 3.56 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.552 0.741 . . . . 0.0 112.363 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.58 28.44 43.32 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 119.521 1.055 . . . . 0.0 113.147 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -156.62 122.45 4.86 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 55.1 mt -80.0 95.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 O-C-N 120.234 -1.541 . . . . 0.0 108.955 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 p -78.44 176.27 9.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.958 1.361 . . . . 0.0 111.67 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -51.62 -46.51 63.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.45 1.9 . . . . 0.0 112.693 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.56 -50.15 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.824 1.25 . . . . 0.0 111.524 175.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -59.49 -41.97 91.04 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.801 1.64 . . . . 0.0 112.016 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -46.75 82.66 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.985 0.914 . . . . 0.0 113.207 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -19.56 57.11 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.559 -1.338 . . . . 0.0 114.195 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.447 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 3.5 tmt_? -59.07 -52.42 65.83 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 126.46 1.904 . . . . 0.0 110.3 166.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.1 -44.47 91.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.048 1.339 . . . . 0.0 112.072 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.88 69.32 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.97 -24.6 59.64 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 96.5 mt-10 -66.85 -42.75 85.21 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.279 -0.888 . . . . 0.0 112.147 172.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.2 -43.08 68.09 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.239 -0.913 . . . . 0.0 110.696 170.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.04 38.84 4.48 Favored Glycine 0 CA--C 1.494 -1.271 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -175.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.15 159.06 16.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 122.421 1.105 . . . . 0.0 112.417 -171.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.95 82.01 5.13 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.264 -0.897 . . . . 0.0 111.966 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pt? -153.28 159.68 42.59 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 121.192 -0.943 . . . . 0.0 113.082 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.2 m -118.54 -110.1 0.35 Allowed 'General case' 0 C--N 1.353 0.761 0 C-N-CA 126.985 2.114 . . . . 0.0 110.74 -149.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -111.49 -54.15 2.64 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 119.917 -1.739 . . . . 0.0 106.688 163.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -42.8 -53.17 4.73 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 130.699 3.6 . . . . 0.0 114.443 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -73.71 -33.1 64.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.703 1.601 . . . . 0.0 110.66 -172.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.56 -43.82 72.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.752 1.221 . . . . 0.0 109.241 172.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.07 -44.33 96.91 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.289 1.436 . . . . 0.0 111.553 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -54.26 -52.65 60.72 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.055 1.742 . . . . 0.0 111.899 169.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 mtm -55.03 -44.99 75.16 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.638 -1.289 . . . . 0.0 114.235 174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.67 -47.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 121.37 -0.832 . . . . 0.0 112.636 174.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.06 -25.66 59.95 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.054 -1.029 . . . . 0.0 113.069 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -64.4 -50.41 67.73 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.543 -1.348 . . . . 0.0 109.664 164.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.85 -54.26 16.74 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -79.9 94.47 5.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.971 -1.081 . . . . 0.0 112.536 -164.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -85.09 -23.21 28.6 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 120.52 -1.362 . . . . 0.0 111.792 -169.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.61 -40.28 61.64 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.875 1.27 . . . . 0.0 109.474 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.31 43.29 2.39 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 120.74 -1.225 . . . . 0.0 111.024 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -85.6 -52.95 5.47 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.973 1.309 . . . . 0.0 107.844 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.46 17.29 7.16 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 125.648 1.594 . . . . 0.0 109.757 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.9 119.56 0.16 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 123.68 1.705 . . . . 0.0 108.119 -162.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.16 116.68 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.255 -148.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.4 p -76.75 168.45 20.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 124.588 1.155 . . . . 0.0 112.796 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -43.18 89.4 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.166 -1.583 . . . . 0.0 113.209 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -59.21 -37.45 77.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.042 1.337 . . . . 0.0 114.036 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.483 1.113 . . . . 0.0 110.178 175.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -52.2 -46.42 65.58 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.046 1.738 . . . . 0.0 112.393 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.4 mt -58.44 -36.99 74.49 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -69.15 -49.94 52.25 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.285 -1.509 . . . . 0.0 110.96 174.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -76.38 -12.92 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 113.001 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 15.2 mmt -74.65 -39.93 61.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 120.543 -1.348 . . . . 0.0 112.192 167.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.357 0.921 0 O-C-N 119.937 -1.727 . . . . 0.0 112.272 171.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.979 0.895 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -65.82 -32.28 73.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 125.399 1.479 . . . . 0.0 110.076 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -50.34 -55.86 13.75 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.602 1.961 . . . . 0.0 112.301 162.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.76 84.8 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.453 -1.404 . . . . 0.0 112.251 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.0 -49.88 72.92 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.096 -1.003 . . . . 0.0 112.524 175.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.55 -13.7 59.85 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 120.786 -1.196 . . . . 0.0 112.613 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -73.06 -22.73 60.56 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 122.315 2.325 . . . . 0.0 111.707 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -77.87 -49.28 14.55 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.936 0.894 . . . . 0.0 110.109 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 7.0 p -100.12 -23.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.092 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -78.3 136.28 37.7 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.219 0.918 . . . . 0.0 111.187 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -135.57 -91.42 0.29 Allowed 'General case' 0 C--N 1.35 0.617 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 169.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.1 tpt -89.62 105.67 17.95 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.484 -0.76 . . . . 0.0 110.515 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 p -89.15 -16.67 30.84 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 123.785 0.834 . . . . 0.0 111.916 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -81.88 168.3 18.09 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.5 1.12 . . . . 0.0 110.678 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.98 -0.4 16.73 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-O 123.449 1.595 . . . . 0.0 108.748 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.52 18.99 9.01 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 125.733 1.613 . . . . 0.0 110.813 -151.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -65.52 -34.87 79.27 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.034 -1.041 . . . . 0.0 109.358 158.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -60.93 -45.61 94.01 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 120.436 -1.415 . . . . 0.0 111.385 172.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.05 -51.39 68.0 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.164 1.385 . . . . 0.0 111.895 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -50.64 -55.16 17.67 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.684 1.194 . . . . 0.0 112.569 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.69 -44.31 98.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.752 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.45 -47.18 87.25 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.831 -1.168 . . . . 0.0 113.312 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -33.59 63.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.344 -1.473 . . . . 0.0 111.16 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.92 -50.04 75.53 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 123.963 0.905 . . . . 0.0 112.124 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -49.94 -47.3 52.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 125.245 1.418 . . . . 0.0 112.493 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -66.3 -26.63 67.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.1 mt -70.56 -24.51 62.8 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.322 -1.486 . . . . 0.0 113.146 172.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CG ' HG21 ' A' ' 129' ' ' VAL . 12.7 m-85 -81.34 -51.65 8.13 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 121.358 -0.839 . . . . 0.0 110.781 166.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -75.66 77.68 2.64 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.464 1.106 . . . . 0.0 112.285 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.29 -37.36 77.51 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.487 1.915 . . . . 0.0 112.187 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -77.55 -18.3 57.07 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 125.663 1.585 . . . . 0.0 111.307 -167.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 62.59 37.58 12.95 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.275 2.23 . . . . 0.0 110.498 -174.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -95.66 -20.2 19.11 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 121.761 0.791 . . . . 0.0 110.369 -167.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.44 12.64 55.74 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 120.479 -1.388 . . . . 0.0 110.69 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -135.72 143.97 45.64 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.493 1.117 . . . . 0.0 108.65 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.54 107.44 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 158.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.2 p -85.38 170.57 12.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.9 0.857 . . . . 0.0 110.753 170.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -45.54 -48.82 14.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 126.625 1.97 . . . . 0.0 112.759 166.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -58.82 -46.57 87.35 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.552 1.541 . . . . 0.0 112.107 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.35 -0.844 . . . . 0.0 110.961 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -52.68 62.8 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.971 1.308 . . . . 0.0 112.735 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -67.91 -31.97 72.11 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.596 -1.315 . . . . 0.0 113.54 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 132' ' ' GLU . 1.2 tmm_? -62.76 -37.4 86.49 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.767 -1.208 . . . . 0.0 111.888 171.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 113' ' ' PHE . 25.5 t -66.56 -47.32 83.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 O-C-N 120.499 -1.376 . . . . 0.0 111.875 169.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.7 64.46 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -77.36 -14.82 59.64 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.441 ' OE1' ' NH1' ' A' ' 128' ' ' ARG . 40.9 tt0 -73.09 -44.1 60.91 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.352 -0.843 . . . . 0.0 110.854 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.37 -37.21 80.21 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.368 -0.833 . . . . 0.0 110.34 170.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.58 25.03 9.54 Favored Glycine 0 C--N 1.35 1.34 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.49 124.52 34.58 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -87.34 74.52 9.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 119.978 -1.701 . . . . 0.0 111.522 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.73 145.39 31.56 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.869 1.268 . . . . 0.0 111.699 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.443 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 28.8 p -95.41 32.79 1.7 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -168.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.46 ' HA ' HD23 ' A' ' 142' ' ' LEU . 0.9 OUTLIER 67.34 -43.88 0.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.31 1.844 . . . . 0.0 115.353 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.81 -39.18 93.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.72 -1.238 . . . . 0.0 113.286 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 138' ' ' THR . 6.0 pm0 -74.68 -24.84 58.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 119.922 -1.736 . . . . 0.0 112.708 174.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 139' ' ' ASP . 3.2 mm? -63.51 -43.03 98.38 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 120.372 -1.455 . . . . 0.0 109.531 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -61.58 -49.45 76.57 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.001 0.921 . . . . 0.0 110.675 174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -50.89 -51.62 50.01 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.408 1.083 . . . . 0.0 113.129 172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.1 mtm -55.87 -41.84 74.98 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.4 -40.96 56.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.378 -0.826 . . . . 0.0 110.758 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -62.46 -40.8 97.81 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.939 -1.1 . . . . 0.0 112.562 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -53.28 -54.7 32.46 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 127.354 2.262 . . . . 0.0 110.966 165.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.6 50.85 1.74 Allowed 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.77 -1.206 . . . . 0.0 114.065 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.7 t70 84.29 92.75 0.03 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 160.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -95.67 1.32 53.48 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.528 -1.357 . . . . 0.0 111.342 161.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.14 -38.87 26.46 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.066 1.346 . . . . 0.0 110.22 -171.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.03 -50.94 0.1 Allowed Glycine 0 C--N 1.353 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 113.335 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.8 -41.73 9.49 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 118.127 0.964 . . . . 0.0 110.173 -171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 106.45 -53.95 0.6 Allowed Glycine 0 C--N 1.351 1.377 0 O-C-N 120.799 -1.188 . . . . 0.0 110.711 171.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -114.58 -160.32 0.73 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 103.757 -2.683 . . . . 0.0 103.757 161.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.2 t -116.18 107.63 23.06 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 O-C-N 120.365 -1.459 . . . . 0.0 111.846 -159.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.9 p -87.81 -176.05 5.36 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 119.44 -2.037 . . . . 0.0 110.816 170.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.58 -31.87 72.84 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.219 -1.55 . . . . 0.0 112.659 -174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.67 -37.82 87.56 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.208 -0.933 . . . . 0.0 112.254 173.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -67.56 -42.11 83.14 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.24 -1.537 . . . . 0.0 110.339 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.52 -43.66 93.34 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.419 -0.8 . . . . 0.0 111.673 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.93 -45.79 82.5 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.165 -1.584 . . . . 0.0 112.022 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -57.85 -46.22 85.12 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.813 1.188 . . . . 0.0 113.57 171.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -37.48 79.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 O-C-N 120.582 -1.323 . . . . 0.0 112.318 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 95.0 mmm -73.84 -45.48 50.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.283 -1.511 . . . . 0.0 112.112 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -71.96 -7.1 46.65 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.474 -1.391 . . . . 0.0 114.343 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -49.64 -44.06 47.23 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.959 1.704 . . . . 0.0 111.118 162.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 35.6 m -80.27 85.25 5.81 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 123.67 1.7 . . . . 0.0 109.062 164.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 43.2 m -113.12 53.07 0.77 Allowed 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 166.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.7 tp 80.21 61.77 0.02 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.397 2.279 . . . . 0.0 108.751 -169.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 73.6 t80 . . . . . 0 C--O 1.257 1.467 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -173.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.513 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . 57.07 63.63 1.86 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.372 1.558 . . . . 0.0 110.921 -166.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.3 OUTLIER -116.35 -67.39 1.0 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 127.093 2.157 . . . . 0.0 106.561 -173.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 29.0 tp -94.74 136.8 34.62 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.425 0.69 . . . . 0.0 110.981 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 58.34 69.57 0.72 Allowed 'General case' 0 C--N 1.353 0.736 0 N-CA-C 116.436 2.014 . . . . 0.0 116.436 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -69.75 71.15 0.34 Allowed 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.806 1.409 . . . . 0.0 114.806 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -74.79 -39.36 61.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.326 1.05 . . . . 0.0 111.271 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -149.08 -105.03 0.08 Allowed 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.757 -0.589 . . . . 0.0 109.462 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 5.4 t 53.55 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 128.158 2.583 . . . . 0.0 117.366 -172.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.05 -5.53 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.984 0 C-N-CA 129.267 3.027 . . . . 0.0 116.273 -153.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.95 -27.06 68.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 118.354 -2.717 . . . . 0.0 111.925 159.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -57.25 -51.26 70.06 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.652 1.581 . . . . 0.0 110.577 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -45.47 -46.57 13.75 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 126.753 2.021 . . . . 0.0 113.317 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.08 42.22 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.224 -0.922 . . . . 0.0 112.879 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.42 -49.78 65.61 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.971 -1.08 . . . . 0.0 113.501 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 120.819 -1.176 . . . . 0.0 111.194 -174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.78 -21.68 62.46 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.921 -1.112 . . . . 0.0 113.078 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -84.14 -45.18 13.25 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 121.532 -0.73 . . . . 0.0 110.269 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.3 p -86.21 -35.86 9.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.26 1.606 0 CA-C-N 119.581 1.082 . . . . 0.0 110.771 -165.609 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.92 0 N-CA-C 111.31 0.115 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -79.03 167.24 21.37 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.64 -0.662 . . . . 0.0 111.015 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -137.03 -145.44 0.21 Allowed 'General case' 0 C--N 1.348 0.515 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.4 mtt 80.36 144.66 0.08 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.075 2.15 . . . . 0.0 112.863 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.5 m -177.33 160.09 1.64 Allowed 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.75 -67.42 0.82 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 122.91 1.338 . . . . 0.0 108.434 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -106.62 -23.36 12.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 128.032 2.533 . . . . 0.0 108.587 -165.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -30.47 67.8 Favored 'General case' 0 N--CA 1.435 -1.18 1 C-N-CA 132.518 4.327 . . . . 0.0 113.356 -163.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 p -57.55 -37.63 73.41 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 125.003 1.321 . . . . 0.0 112.484 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -66.29 -46.34 77.3 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.547 -1.346 . . . . 0.0 112.363 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -36.71 73.64 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 0.0 110.904 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -55.66 -50.41 70.3 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.98 1.712 . . . . 0.0 112.875 170.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.12 -46.21 92.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 O-C-N 120.876 -1.14 . . . . 0.0 112.668 172.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.6 -39.67 92.06 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.353 -1.467 . . . . 0.0 113.622 174.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -66.38 -42.92 87.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 120.037 -1.664 . . . . 0.0 112.436 171.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.97 84.95 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.896 -1.128 . . . . 0.0 112.509 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -53.42 -44.51 68.84 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.664 1.586 . . . . 0.0 112.878 170.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -18.81 57.63 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.21 -34.11 59.26 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 124.845 1.258 . . . . 0.0 111.06 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.409 ' CD1' HG21 ' A' ' 129' ' ' VAL . 12.3 m-85 -59.32 -59.31 5.66 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 121.11 -0.993 . . . . 0.0 112.723 164.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -88.25 91.14 8.67 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.837 -1.164 . . . . 0.0 114.003 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.54 -26.05 66.96 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.749 -1.219 . . . . 0.0 112.735 170.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -87.16 -18.91 29.28 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.255 0.622 . . . . 0.0 110.082 -158.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 66.87 49.46 1.19 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 122.939 1.352 . . . . 0.0 111.561 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -32.74 25.77 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 166.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.77 10.94 68.99 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -143.68 146.38 33.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 88.6 mt -90.92 101.5 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 O-C-N 120.045 -1.66 . . . . 0.0 108.401 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.2 p -80.97 174.33 11.73 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.755 -1.216 . . . . 0.0 110.241 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CZ ' HD23 ' A' ' 142' ' ' LEU . 25.1 t80 -49.35 -42.63 42.4 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 126.489 1.915 . . . . 0.0 111.809 171.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -62.9 -41.35 99.41 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.571 1.548 . . . . 0.0 112.004 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -75.58 -40.77 56.1 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 127.001 2.12 . . . . 0.0 109.07 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -43.81 87.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.604 -1.31 . . . . 0.0 112.978 171.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -61.16 -30.37 70.35 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -56.08 -52.07 65.62 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.758 -1.214 . . . . 0.0 111.337 172.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 113' ' ' PHE . 92.8 t -66.19 -40.76 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 123.821 0.848 . . . . 0.0 111.137 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.85 75.55 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 171.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -63.0 -53.34 55.45 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 123.849 0.859 . . . . 0.0 112.679 170.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -70.2 -30.62 67.77 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.83 -40.63 28.11 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 167.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.7 64.67 1.25 Allowed Glycine 0 C--N 1.352 1.449 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.28 167.35 22.07 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.32 -17.26 32.83 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 112.275 -172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.87 179.03 7.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.658 1.183 . . . . 0.0 111.107 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 m -104.87 -73.14 0.69 Allowed 'General case' 0 CA--C 1.505 -0.773 0 O-C-N 120.226 -1.546 . . . . 0.0 108.088 -169.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -150.23 2.07 0.48 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.239 2.215 . . . . 0.0 110.353 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -66.0 -47.05 75.79 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 126.64 1.976 . . . . 0.0 108.117 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.572 ' HG3' HD22 ' A' ' 142' ' ' LEU . 1.9 pt-20 -30.04 -63.0 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 C-N-CA 129.827 3.251 . . . . 0.0 114.023 172.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 142' ' ' LEU . 0.1 OUTLIER -69.93 -45.69 66.98 Favored 'General case' 0 CA--C 1.506 -0.729 0 O-C-N 121.952 -0.467 . . . . 0.0 110.027 -173.013 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.49 -45.64 93.01 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.807 -0.558 . . . . 0.0 112.002 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -51.93 67.68 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 125.222 1.409 . . . . 0.0 111.307 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.0 mtm -59.05 -43.9 91.73 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -57.04 -54.09 34.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 C-N-CA 124.35 1.06 . . . . 0.0 111.053 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.57 -36.87 85.63 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.274 1.03 . . . . 0.0 112.347 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.915 -1.116 . . . . 0.0 112.033 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.8 -52.96 10.06 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -78.95 101.13 7.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 123.063 1.411 . . . . 0.0 110.678 -171.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -97.91 -26.83 14.53 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.524 -171.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.24 -31.91 21.43 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.148 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.33 74.38 1.16 Allowed Glycine 0 C--N 1.358 1.796 0 CA-C-N 120.121 1.328 . . . . 0.0 112.618 175.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.36 -54.38 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.63 -44.74 1.26 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -170.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -102.07 150.51 23.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 123.213 1.482 . . . . 0.0 107.848 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.3 104.8 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 O-C-N 120.033 -1.667 . . . . 0.0 108.165 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 80.9 p -69.32 175.68 3.81 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.311 1.053 . . . . 0.0 112.913 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -55.39 24.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 126.64 1.976 . . . . 0.0 110.712 172.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.29 -50.81 58.59 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 113.858 169.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.437 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 12.2 mm-40 -66.74 -36.98 83.72 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.734 -1.228 . . . . 0.0 112.471 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -65.41 -44.48 87.3 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.953 -1.092 . . . . 0.0 112.116 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.59 -42.02 98.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.153 -1.592 . . . . 0.0 111.973 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.437 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 46.7 mtp180 -60.77 -46.04 92.02 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 113.322 172.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -41.22 90.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 120.582 -1.324 . . . . 0.0 112.035 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.9 -42.4 66.8 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.199 -1.563 . . . . 0.0 113.045 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -71.97 -15.56 62.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.399 -1.438 . . . . 0.0 113.282 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -43.3 -48.52 6.8 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.67 1.988 . . . . 0.0 113.101 169.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 18.7 m -80.14 69.87 6.63 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 122.9 1.333 . . . . 0.0 110.358 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 29.6 m -96.4 1.46 51.75 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.091 0.957 . . . . 0.0 110.401 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.56 -20.27 19.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.318 1.047 . . . . 0.0 111.347 -178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--O 1.262 1.753 0 C-N-CA 126.998 2.119 . . . . 0.0 109.526 -168.251 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' B' ' 642' ' ' ALA . 38.3 mtp-105 . . . . . 0 N--CA 1.511 2.594 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' B' ' 641' ' ' ARG . . . -77.93 -108.44 0.02 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.874 3.67 . . . . 0.0 110.723 0.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -76.35 179.19 5.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 4.1 pp -144.97 146.15 31.83 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 121.185 -0.947 . . . . 0.0 108.549 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -144.59 169.76 17.37 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 73.2 m80 68.86 17.86 8.65 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 124.979 1.312 . . . . 0.0 114.143 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -74.5 130.18 39.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.88 1.272 . . . . 0.0 108.349 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -159.27 -171.48 3.36 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.409 -1.432 . . . . 0.0 109.992 -170.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 23.3 t -92.97 -152.59 0.33 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.894 1.677 . . . . 0.0 108.283 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 37.3 t 70.18 -50.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.637 0 C-N-CA 127.978 2.511 . . . . 0.0 112.963 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 25.2 tp -47.49 -24.46 0.84 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 130.624 3.57 . . . . 0.0 116.528 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -61.38 -24.23 66.34 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.24 -1.537 . . . . 0.0 112.718 170.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -51.18 46.55 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.51 1.524 . . . . 0.0 111.83 166.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.18 36.73 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 121.512 -0.742 . . . . 0.0 110.646 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 24.9 tp -67.3 -54.18 23.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 121.184 -0.948 . . . . 0.0 113.188 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' B' ' 659' ' ' VAL . 77.9 mt-30 -82.27 -28.18 31.94 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 120.464 -1.398 . . . . 0.0 111.799 -165.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.21 -4.58 57.36 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.673 0.669 . . . . 0.0 111.893 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -88.4 -45.72 9.75 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.259 -0.901 . . . . 0.0 108.887 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 656' ' ' GLN . 1.3 p -72.93 -37.1 53.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 O-C-N 120.585 -1.322 . . . . 0.0 114.005 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 75.7 m . . . . . 0 C--O 1.261 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 178.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.529 3.504 0 CA-C-O 112.551 -3.595 . . . . 0.0 103.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -139.31 154.6 47.94 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 121.985 2.175 . . . . 0.0 106.559 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -147.46 146.48 29.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.1 ttt -127.46 139.77 52.59 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.439 -0.788 . . . . 0.0 109.546 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -81.6 76.51 8.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.062 0.934 . . . . 0.0 109.154 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.66 146.75 26.7 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 122.951 1.358 . . . . 0.0 113.07 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.94 32.69 1.02 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 173.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.98 -59.29 0.09 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 -151.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.28 1.2 p -61.22 -48.0 83.49 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 119.868 -1.77 . . . . 0.0 114.612 174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -56.97 -35.11 68.77 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 121.825 2.102 . . . . 0.0 114.904 170.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.49 -50.63 72.81 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 124.438 1.095 . . . . 0.0 110.607 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.52 -1.363 . . . . 0.0 113.38 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.69 -47.46 91.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.417 -1.427 . . . . 0.0 111.378 173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.65 -42.77 97.65 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.746 -1.221 . . . . 0.0 112.186 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.76 -43.14 97.3 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.025 -1.672 . . . . 0.0 113.005 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.99 93.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.65 1.58 . . . . 0.0 112.932 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -53.65 -43.01 68.45 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 125.184 1.394 . . . . 0.0 111.561 170.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -78.14 -12.95 60.03 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.06 -37.7 33.36 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.012 -1.68 . . . . 0.0 109.866 169.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -59.14 -60.92 3.1 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.518 0.727 . . . . 0.0 112.785 163.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -68.12 93.69 0.46 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 113.529 0.936 . . . . 0.0 113.529 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -56.43 -39.86 73.78 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 127.435 2.294 . . . . 0.0 114.762 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -87.76 -21.9 24.87 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 124.617 1.167 . . . . 0.0 109.397 -171.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 69.91 42.7 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.993 2.117 . . . . 0.0 108.921 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.76 -35.78 15.53 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.913 1.285 . . . . 0.0 110.608 -165.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.59 28.04 3.11 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 124.598 1.094 . . . . 0.0 111.427 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -154.13 145.45 22.99 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.287 1.041 . . . . 0.0 110.785 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 58.0 mt -95.06 100.3 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.0 t -86.9 172.5 10.01 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 120.683 -1.26 . . . . 0.0 110.301 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.04 -40.97 70.81 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 125.556 1.542 . . . . 0.0 111.031 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -51.76 55.73 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 128.4 2.68 . . . . 0.0 111.486 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -70.07 -41.39 74.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 126.332 1.853 . . . . 0.0 111.363 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -53.35 58.68 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.407 1.483 . . . . 0.0 111.361 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -66.22 -34.12 77.29 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 123.584 0.754 . . . . 0.0 112.879 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -51.91 67.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 121.019 -1.051 . . . . 0.0 112.498 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.0 t -58.8 -41.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 120.085 -1.634 . . . . 0.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.6 -44.67 66.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 170.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER -83.03 1.56 39.42 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 174.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -82.55 -47.08 12.56 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 119.915 -1.741 . . . . 0.0 109.338 163.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.47 -43.11 73.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.329 0.652 . . . . 0.0 112.165 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.02 26.85 8.14 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -87.79 115.9 25.57 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.815 0.817 . . . . 0.0 109.29 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -79.32 53.69 1.55 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -171.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.67 147.61 27.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 122.851 1.31 . . . . 0.0 111.424 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.3 m -83.82 153.7 23.91 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 125.213 1.405 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.59 -39.59 50.22 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.885 1.674 . . . . 0.0 115.381 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.73 -42.49 75.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.037 1.735 . . . . 0.0 112.983 171.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.69 -36.84 70.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.132 1.373 . . . . 0.0 111.121 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -40.89 94.62 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.723 -1.235 . . . . 0.0 110.934 171.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -66.68 -41.31 88.28 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.37 -0.831 . . . . 0.0 112.44 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.27 -48.82 54.71 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.89 1.276 . . . . 0.0 112.398 171.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.8 mtm -55.32 -49.18 72.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.92 -53.97 35.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 121.421 -0.799 . . . . 0.0 111.836 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -34.89 79.43 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.161 1.385 . . . . 0.0 112.297 -174.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.75 -46.63 89.68 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.472 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.56 -47.63 31.51 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 121.295 -0.878 . . . . 0.0 112.43 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -76.81 68.79 3.07 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 124.202 1.953 . . . . 0.0 111.976 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -63.01 -30.23 71.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.75 2.02 . . . . 0.0 113.195 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.48 -24.66 16.55 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 118.679 -0.677 . . . . 0.0 112.786 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.33 54.2 1.03 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 120.526 1.512 . . . . 0.0 114.246 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -85.78 -27.35 25.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.132 1.373 . . . . 0.0 109.358 169.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 99.59 0.02 56.69 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 120.466 -1.396 . . . . 0.0 110.898 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -170.05 172.5 6.43 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 103.471 -2.788 . . . . 0.0 103.471 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 42.6 t -117.9 114.98 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.612 0 CA-C-O 122.201 1.0 . . . . 0.0 110.943 -156.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.7 t -83.78 179.98 7.44 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.184 0.992 . . . . 0.0 110.948 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.97 -49.76 74.79 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.791 1.636 . . . . 0.0 112.048 -173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.78 -41.18 70.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.54 1.536 . . . . 0.0 113.005 171.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.3 mp0 -68.18 -39.1 82.6 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.635 -1.291 . . . . 0.0 111.295 177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.03 -42.53 89.46 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.97 -1.081 . . . . 0.0 111.989 173.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.65 -37.11 86.46 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.41 -1.431 . . . . 0.0 113.244 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 36.7 mtt180 -57.75 -51.61 68.85 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.798 1.239 . . . . 0.0 112.755 168.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.77 76.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 120.646 -1.284 . . . . 0.0 112.228 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 17.9 mmt -66.06 -25.69 67.15 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.142 -2.224 . . . . 0.0 113.579 170.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -73.46 -35.71 65.76 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.654 -1.279 . . . . 0.0 112.574 169.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -55.49 -53.96 49.87 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.889 1.275 . . . . 0.0 111.977 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.2 m -82.21 89.03 6.48 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.022 -1.049 . . . . 0.0 113.164 -174.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 1.8 p -79.33 28.69 0.24 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 126.436 1.894 . . . . 0.0 112.876 171.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 14.9 tp 66.0 36.21 5.97 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 126.62 1.968 . . . . 0.0 109.386 -161.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.259 1.563 0 C-N-CA 127.963 2.505 . . . . 0.0 112.418 -168.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' B' ' 642' ' ' ALA . 13.3 ptp180 . . . . . 0 N--CA 1.513 2.699 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' B' ' 643' ' ' ASP 0.272 . . -85.54 -85.83 0.14 Allowed 'General case' 0 C--N 1.357 0.932 0 C-N-CA 128.859 2.864 . . . . 0.0 111.438 2.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.607 ' HA ' ' HB3' ' B' ' 642' ' ' ALA . 0.4 OUTLIER -166.01 -177.57 4.27 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 124.893 3.497 . . . . 0.0 112.699 16.019 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 93.8 mt -114.21 -40.47 3.67 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 126.783 2.033 . . . . 0.0 108.313 171.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -163.09 -11.85 0.03 OUTLIER 'General case' 0 C--N 1.356 0.857 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -80.3 120.4 24.32 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.214 -1.554 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -111.79 131.09 55.56 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -67.0 140.24 57.7 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.125 -1.609 . . . . 0.0 114.042 -168.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 50.3 m -78.88 127.08 31.56 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.795 1.238 . . . . 0.0 113.7 -167.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 3.9 m -143.53 171.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 1 C-N-CA 132.273 4.229 . . . . 0.0 104.592 -14.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 24.0 tp 68.57 -52.32 0.56 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 127.354 2.261 . . . . 0.0 115.964 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -46.73 -47.01 20.7 Favored 'General case' 0 CA--C 1.503 -0.863 0 C-N-CA 126.407 1.883 . . . . 0.0 111.6 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -6.63 -70.27 0.0 OUTLIER 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.081 3.352 . . . . 0.0 115.894 152.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.37 -24.85 36.77 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 124.223 1.009 . . . . 0.0 111.507 -168.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 15.7 tp -83.87 -45.48 13.19 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 121.616 0.722 . . . . 0.0 111.066 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -63.68 -47.1 82.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.468 1.507 . . . . 0.0 111.504 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -80.74 -0.06 36.82 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 121.141 -0.974 . . . . 0.0 112.396 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -82.67 -58.55 2.85 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 120.325 -1.484 . . . . 0.0 108.127 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.96 -38.7 80.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.265 1.878 0 CA-C-O 116.427 -1.749 . . . . 0.0 110.945 176.148 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.516 2.871 0 CA-C-O 119.372 -0.347 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -124.21 -122.52 0.26 Allowed 'General case' 0 C--N 1.348 0.53 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 166.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -79.12 158.69 27.72 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.225 -0.922 . . . . 0.0 111.465 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 mmt -102.41 149.18 24.62 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -163.74 143.71 8.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 119.901 -1.749 . . . . 0.0 107.454 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -151.28 -110.54 0.05 Allowed 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -174.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -74.45 -13.93 60.77 Favored 'General case' 0 C--N 1.358 0.955 0 O-C-N 119.345 -2.097 . . . . 0.0 113.88 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.91 -33.4 71.8 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.48 1.912 . . . . 0.0 112.602 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.2 p -62.46 -63.25 1.28 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.531 0.732 . . . . 0.0 112.721 -173.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -64.75 -31.95 73.41 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.796 -1.815 . . . . 0.0 112.445 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -51.79 68.47 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.209 1.368 . . . . 0.0 111.744 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -61.01 -46.25 91.51 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.886 1.275 . . . . 0.0 110.985 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.3 mm -69.02 -41.78 81.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 113.328 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.36 -41.48 85.02 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.758 -1.839 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -58.86 -48.77 80.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.697 -1.252 . . . . 0.0 111.589 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.83 86.92 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 113.762 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.82 -47.64 70.69 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.711 1.604 . . . . 0.0 112.09 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -78.17 -18.73 55.17 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.25 -34.78 78.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.378 -1.451 . . . . 0.0 112.554 162.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' ' 129' ' ' VAL . 65.3 m-85 -67.88 -54.8 16.08 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.802 -1.186 . . . . 0.0 112.824 163.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.97 70.49 0.2 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.985 1.714 . . . . 0.0 113.69 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 1.1 m-20 -55.16 -45.48 75.71 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 127.138 2.175 . . . . 0.0 113.782 178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -7.45 59.48 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.047 1.339 . . . . 0.0 111.596 -163.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 64.1 60.18 1.01 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.318 1.447 . . . . 0.0 112.729 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 t -111.8 -22.34 11.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.301 -0.875 . . . . 0.0 110.126 173.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.72 28.93 44.94 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 119.046 0.839 . . . . 0.0 111.407 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -147.53 147.23 29.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 64.9 mt -96.64 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 CA-C-O 122.2 1.0 . . . . 0.0 108.89 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.2 p -78.69 167.29 21.44 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-O 122.433 1.111 . . . . 0.0 112.641 173.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -57.33 -40.86 78.87 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.009 1.724 . . . . 0.0 110.507 170.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -59.04 -47.69 84.3 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.496 1.918 . . . . 0.0 111.796 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.53 -46.81 87.79 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.5 1.12 . . . . 0.0 112.088 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.73 -50.52 55.21 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.218 1.407 . . . . 0.0 112.594 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -75.44 -17.08 60.26 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.416 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 3.3 mpt_? -65.27 -52.4 54.59 Favored 'General case' 0 C--N 1.363 1.178 0 O-C-N 120.298 -1.502 . . . . 0.0 109.419 163.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.52 HG21 ' CD1' ' A' ' 113' ' ' PHE . 50.9 t -57.06 -45.03 83.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.027 0.931 . . . . 0.0 111.946 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.74 -47.43 64.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 172.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -23.99 58.44 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.765 -1.21 . . . . 0.0 113.384 177.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -68.04 -44.11 77.17 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 121.254 -0.904 . . . . 0.0 112.374 173.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.83 -39.78 63.8 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 121.033 -1.042 . . . . 0.0 111.143 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.06 41.97 1.86 Allowed Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -82.71 120.1 25.16 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.906 0.86 . . . . 0.0 111.539 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.75 58.83 5.27 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.705 -1.247 . . . . 0.0 109.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.76 164.43 12.25 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.292 1.037 . . . . 0.0 112.025 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.1 p -90.24 164.47 14.38 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.024 -1.047 . . . . 0.0 110.836 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.17 -60.01 0.95 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 129.487 3.115 . . . . 0.0 114.351 168.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.33 -36.02 30.29 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.843 2.057 . . . . 0.0 115.439 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.099 -1.625 . . . . 0.0 112.184 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.77 -43.11 89.84 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.674 -1.266 . . . . 0.0 110.517 171.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -48.49 79.89 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.092 1.757 . . . . 0.0 111.943 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -49.5 -53.25 24.31 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 127.228 2.211 . . . . 0.0 111.77 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.5 mtm -57.46 -37.82 73.48 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.91 -51.42 55.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.286 -1.509 . . . . 0.0 111.683 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.35 -36.85 79.86 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.854 0.862 . . . . 0.0 111.609 -174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.89 -55.49 31.93 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.959 1.703 . . . . 0.0 112.47 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.21 -51.33 12.3 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -165.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 161' ' ' GLU . 10.9 t70 -80.06 59.43 3.26 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -159.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -66.53 -49.17 67.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.534 1.534 . . . . 0.0 114.282 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -114.74 26.04 10.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.069 -1.019 . . . . 0.0 108.559 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -97.28 -107.32 2.5 Favored Glycine 0 C--N 1.358 1.793 0 O-C-N 121.452 -0.78 . . . . 0.0 114.651 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -139.73 -41.46 0.44 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.616 1.166 . . . . 0.0 109.667 -164.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.73 -31.45 1.89 Allowed Glycine 0 C--N 1.354 1.53 0 O-C-N 120.545 -1.347 . . . . 0.0 109.908 -170.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -133.77 154.15 51.2 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 171.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 9.2 t -78.2 113.45 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 CA-C-O 121.369 0.604 . . . . 0.0 112.46 -142.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 163.18 22.39 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.54 -0.725 . . . . 0.0 111.393 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.334 -1.479 . . . . 0.0 113.656 -170.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.61 -41.02 84.92 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.519 1.128 . . . . 0.0 110.667 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' A' ' 150' ' ' ASP . 67.4 mm-40 -79.85 -42.41 24.34 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 125.023 1.329 . . . . 0.0 109.616 -174.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -59.15 -48.08 82.93 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.731 -0.605 . . . . 0.0 111.864 173.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.02 -28.03 62.11 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.023 -1.673 . . . . 0.0 113.288 176.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.418 ' NH1' ' OE1' ' A' ' 161' ' ' GLU . 34.6 ttm180 -58.65 -52.82 64.05 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.135 1.334 . . . . 0.0 112.58 171.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.55 -32.86 60.07 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 O-C-N 121.478 -0.764 . . . . 0.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.5 mmt -72.36 -43.46 63.99 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.336 -0.853 . . . . 0.0 112.362 173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -55.54 -27.11 46.93 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.307 1.843 . . . . 0.0 113.806 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -54.21 -25.18 21.5 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 168.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.4 m -147.28 64.66 1.15 Allowed 'General case' 0 C--N 1.351 0.643 0 O-C-N 119.647 -1.908 . . . . 0.0 109.412 158.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 30.9 p -81.46 -44.98 16.67 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 162.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.91 105.8 3.14 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 164.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--O 1.257 1.466 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 178.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.519 ' N ' ' OD1' ' B' ' 643' ' ' ASP . 83.3 mtm180 . . . . . 0 N--CA 1.511 2.611 0 CA-C-O 119.15 -0.452 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -92.47 17.83 9.41 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 130.686 3.594 . . . . 0.0 112.497 0.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 641' ' ' ARG . 7.1 p-10 -59.57 151.34 24.72 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.735 2.014 . . . . 0.0 113.938 174.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 75.3 mt -127.33 150.92 49.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -123.63 -91.43 0.55 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-O 120.724 0.297 . . . . 0.0 111.006 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -75.19 57.77 0.88 Allowed 'General case' 0 C--N 1.352 0.686 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -80.78 174.34 11.71 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.803 1.241 . . . . 0.0 111.955 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 62.48 30.15 17.17 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.055 1.342 . . . . 0.0 114.212 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 77.3 p -90.14 -170.89 2.93 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.272 1.034 . . . . 0.0 111.433 -173.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.17 48.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 119.802 -1.811 . . . . 0.0 112.476 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 18.9 tp -95.82 -25.08 16.17 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.779 1.631 . . . . 0.0 112.206 -166.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -41.72 99.51 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 126.116 1.766 . . . . 0.0 110.664 176.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -44.64 -60.32 2.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.392 1.877 . . . . 0.0 112.623 165.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.37 96.16 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.126 1.37 . . . . 0.0 112.54 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.99 -49.75 66.73 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 121.59 -0.694 . . . . 0.0 112.272 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -72.97 -32.76 65.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.63 -1.294 . . . . 0.0 113.507 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.23 61.13 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.512 -1.367 . . . . 0.0 112.545 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -86.73 -56.86 3.21 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 123.782 0.833 . . . . 0.0 110.024 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.33 -29.75 5.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -167.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 120.846 -1.159 . . . . 0.0 110.731 -168.506 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.518 2.963 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -89.9 152.51 21.2 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -152.59 141.98 21.62 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.352 -2.833 . . . . 0.0 103.352 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 21.0 mmt -120.03 149.72 41.72 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 m -118.35 -52.53 2.38 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -126.52 -41.39 1.87 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 124.437 1.095 . . . . 0.0 110.033 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -153.45 -136.06 0.06 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -118.78 -71.92 0.71 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 158.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -15.77 -65.53 0.01 OUTLIER 'General case' 0 C--N 1.355 0.835 0 N-CA-C 119.833 3.271 . . . . 0.0 119.833 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.4 -46.59 82.64 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.561 -1.337 . . . . 0.0 113.147 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.41 -15.4 57.91 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 121.051 -1.031 . . . . 0.0 110.789 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.47 -32.71 74.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.575 -1.328 . . . . 0.0 112.721 164.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mt -63.24 -41.81 94.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 119.666 -1.896 . . . . 0.0 110.504 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.83 -45.51 92.25 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.686 -1.258 . . . . 0.0 113.249 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -50.97 -53.02 36.81 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.66 1.984 . . . . 0.0 111.806 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.19 97.02 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.349 1.459 . . . . 0.0 112.555 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.76 -44.76 77.97 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.462 1.105 . . . . 0.0 112.347 172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -77.37 -26.97 52.39 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.654 -1.279 . . . . 0.0 114.365 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.47 -35.16 79.54 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.579 -1.951 . . . . 0.0 111.527 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.44 ' CD1' HG21 ' A' ' 129' ' ' VAL . 28.2 m-85 -65.45 -61.46 2.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 158.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -71.47 68.37 0.55 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.603 1.561 . . . . 0.0 114.814 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -71.65 -32.02 67.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 129.381 3.072 . . . . 0.0 110.134 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.23 -17.32 60.9 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.297 1.839 . . . . 0.0 111.213 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 58.34 41.0 23.85 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.53 2.332 . . . . 0.0 113.383 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 t -97.76 -11.15 23.72 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.07 -1.019 . . . . 0.0 112.263 -172.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.74 25.29 53.74 Favored Glycine 0 C--N 1.352 1.417 0 O-C-N 120.696 -1.253 . . . . 0.0 110.914 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -152.22 148.25 27.35 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.05 91.86 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 160.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 t -64.37 159.72 20.57 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.386 1.874 . . . . 0.0 111.745 170.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -56.25 -35.71 67.72 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.367 1.467 . . . . 0.0 110.99 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -59.87 -52.37 65.72 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.91 1.284 . . . . 0.0 112.01 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -61.78 -43.29 99.14 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.165 1.786 . . . . 0.0 111.37 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -54.24 48.1 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.509 1.523 . . . . 0.0 112.078 173.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -27.7 64.24 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.75 -1.219 . . . . 0.0 114.176 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -57.21 -51.0 71.1 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.081 1.353 . . . . 0.0 111.78 167.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 113' ' ' PHE . 48.2 t -58.51 -45.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 121.303 -0.873 . . . . 0.0 112.164 175.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -34.98 60.44 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -60.94 -55.4 33.41 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 121.256 -0.903 . . . . 0.0 111.579 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.22 -10.9 59.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 112.628 -165.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.46 -33.46 75.75 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.218 -0.926 . . . . 0.0 112.507 159.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.96 38.97 10.62 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 136' ' ' ASN . 2.0 tm-20 -90.05 -176.92 5.04 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.096 1.427 . . . . 0.0 113.546 -172.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.465 ' H ' ' CD ' ' A' ' 135' ' ' GLU . 48.1 m-80 -123.7 -38.46 2.51 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.458 2.703 . . . . 0.0 108.767 -164.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 148.05 23.2 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 -175.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 21.9 p -101.67 -175.35 2.83 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.983 1.313 . . . . 0.0 111.98 -167.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -66.62 -30.6 70.91 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -166.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.88 -42.85 69.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.337 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.13 -45.98 83.04 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.716 -1.24 . . . . 0.0 111.886 173.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.18 -38.06 82.12 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 125.058 1.343 . . . . 0.0 113.305 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -46.93 83.22 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.144 1.378 . . . . 0.0 111.502 174.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.67 -30.58 71.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.716 -1.24 . . . . 0.0 112.561 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mtt -55.58 -46.27 77.25 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 120.776 -1.203 . . . . 0.0 113.801 166.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 49.7 mm -58.13 -49.55 81.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 124.606 1.162 . . . . 0.0 111.329 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -55.23 -53.24 58.55 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.474 1.11 . . . . 0.0 111.497 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -71.83 -22.5 61.54 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.658 -1.276 . . . . 0.0 113.646 -172.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.51 -58.31 3.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.376 -1.452 . . . . 0.0 112.368 166.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -88.03 75.33 8.76 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.722 -1.236 . . . . 0.0 110.106 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -65.02 -33.47 76.11 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.78 -41.1 38.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.829 1.251 . . . . 0.0 110.674 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 98.53 73.31 1.1 Allowed Glycine 0 C--N 1.353 1.48 0 O-C-N 121.592 -0.692 . . . . 0.0 112.526 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -85.08 -43.87 13.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 162.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 139.91 -40.29 1.42 Allowed Glycine 0 CA--C 1.487 -1.708 0 N-CA-C 108.614 -1.794 . . . . 0.0 108.614 170.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -127.44 158.78 36.43 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.92 113.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 O-C-N 120.944 -1.097 . . . . 0.0 111.281 -159.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.36 176.21 9.55 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.665 -1.272 . . . . 0.0 112.32 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -54.21 42.23 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.959 1.304 . . . . 0.0 111.705 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -43.11 -46.7 5.89 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 126.011 1.725 . . . . 0.0 114.96 163.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.409 ' OE2' ' NH1' ' A' ' 164' ' ' ARG . 2.5 mp0 -69.19 -39.63 78.56 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 120.059 -1.651 . . . . 0.0 111.69 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -61.85 -47.08 86.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.36 -0.837 . . . . 0.0 111.48 171.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.94 -48.05 76.45 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.525 1.13 . . . . 0.0 112.175 172.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.409 ' NH1' ' OE2' ' A' ' 161' ' ' GLU . 53.5 mtp180 -55.59 -52.61 63.19 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.933 1.293 . . . . 0.0 113.894 173.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.6 tp -65.82 -38.95 83.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 O-C-N 121.042 -1.036 . . . . 0.0 112.679 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 94.3 mmm -68.29 -38.66 81.89 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 121.253 -0.905 . . . . 0.0 112.075 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.52 -25.63 64.65 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -55.21 -46.16 75.91 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 120.907 -1.121 . . . . 0.0 112.458 167.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 6.3 m -93.41 58.44 2.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.695 1.235 . . . . 0.0 108.968 -170.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 69.8 p -81.6 -31.71 32.37 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 121.006 -1.059 . . . . 0.0 111.285 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 171' ' ' LEU . 2.4 pt? -105.91 -28.8 10.38 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.726 1.21 . . . . 0.0 112.265 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.262 1.759 0 C-N-CA 126.562 1.945 . . . . 0.0 111.731 -170.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 112.738 -3.506 . . . . 0.0 103.541 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -145.05 -177.31 5.47 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.13 -175.52 4.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -156.36 -65.11 0.11 Allowed 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -157.3 53.82 0.49 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -106.4 -65.59 1.07 Allowed 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 124.128 0.971 . . . . 0.0 111.809 -175.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -83.61 123.81 30.17 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.855 -1.153 . . . . 0.0 111.995 -172.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -157.76 0.24 Allowed 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.603 1.161 . . . . 0.0 112.824 -176.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 99.5 p -74.8 152.77 38.96 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.285 -1.51 . . . . 0.0 109.96 168.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.24 6.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -167.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 17.6 tp -81.48 -15.11 56.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.231 2.212 . . . . 0.0 110.674 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -52.37 -38.71 59.51 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.663 1.585 . . . . 0.0 112.737 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -36.58 -50.6 0.81 Allowed 'General case' 0 C--N 1.347 0.472 0 C-N-CA 128.354 2.662 . . . . 0.0 114.656 166.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.35 -45.2 26.83 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.523 -0.736 . . . . 0.0 111.459 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.32 -36.55 58.23 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.213 -0.93 . . . . 0.0 112.849 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.91 -42.68 66.44 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 120.315 -1.491 . . . . 0.0 110.993 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.67 -18.74 65.53 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.364 -1.46 . . . . 0.0 113.44 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.16 -59.07 3.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.299 1.44 . . . . 0.0 111.158 166.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.26 -19.06 3.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.266 1.967 0 O-C-N 119.664 -1.897 . . . . 0.0 112.317 -169.478 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.516 2.86 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -83.07 79.41 9.37 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 122.076 0.941 . . . . 0.0 111.517 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -159.08 -84.4 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.0 mtt 55.51 -121.66 1.74 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.687 1.195 . . . . 0.0 111.273 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.0 p 71.99 9.37 6.08 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 116.242 1.941 . . . . 0.0 116.242 164.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -75.74 139.45 41.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.229 -0.919 . . . . 0.0 112.611 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.31 -158.13 0.13 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 -174.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 11.01 -80.62 0.0 OUTLIER 'General case' 0 C--N 1.355 0.834 1 C-N-CA 132.161 4.184 . . . . 0.0 118.256 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 t -66.23 -14.53 62.07 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.276 -1.515 . . . . 0.0 113.273 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -66.19 -35.38 80.31 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 118.859 -2.4 . . . . 0.0 112.546 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -34.79 72.4 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 120.981 -1.074 . . . . 0.0 109.832 172.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.11 -45.31 91.23 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.119 0.568 . . . . 0.0 112.517 169.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 73.0 mt -60.78 -45.82 97.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 O-C-N 120.553 -1.342 . . . . 0.0 111.414 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.93 -45.46 90.32 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.668 -1.27 . . . . 0.0 112.279 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -61.63 -47.1 86.92 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.26 1.424 . . . . 0.0 112.466 173.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.69 73.51 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.998 2.119 . . . . 0.0 112.799 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -54.87 -46.54 74.73 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 124.469 1.107 . . . . 0.0 112.298 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -71.31 -33.78 69.98 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' B' ' 648' ' ' HIS . 96.1 mt -65.78 -35.61 81.18 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.555 -1.34 . . . . 0.0 112.288 172.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.69 -58.77 5.37 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 121.098 -1.001 . . . . 0.0 112.912 163.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -71.47 81.65 0.79 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 123.39 1.567 . . . . 0.0 112.609 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -47.11 -40.32 15.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 131.577 3.951 . . . . 0.0 112.819 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.4 -36.68 20.53 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.586 1.155 . . . . 0.0 110.84 -174.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.25 45.5 mt-10 74.19 47.17 0.15 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.958 2.103 . . . . 0.0 110.027 -172.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.7 t -88.94 -16.31 32.13 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.752 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.57 24.38 12.34 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 124.678 1.132 . . . . 0.0 110.529 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -153.22 143.33 22.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 122.2 1.0 . . . . 0.0 109.245 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.18 89.16 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 120.236 -1.54 . . . . 0.0 107.906 166.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -68.37 167.99 13.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.148 0.975 . . . . 0.0 112.142 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.8 -41.5 95.76 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.672 1.589 . . . . 0.0 111.264 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -56.17 -45.48 79.69 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 111.941 170.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -75.89 -34.22 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.85 1.26 . . . . 0.0 110.136 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -57.67 11.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.365 1.466 . . . . 0.0 112.289 164.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HB2' HD13 ' A' ' 142' ' ' LEU . 1.5 ptmm? -71.13 -23.28 62.05 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -176.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -56.99 -58.08 9.72 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.211 1.804 . . . . 0.0 110.866 166.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.6 t -55.93 -40.48 62.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 C-N-CA 125.01 1.324 . . . . 0.0 113.045 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.27 -49.83 52.09 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.926 0.89 . . . . 0.0 112.905 170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.28 -37.13 69.1 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.429 -1.42 . . . . 0.0 113.837 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.44 -42.47 96.15 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.777 1.171 . . . . 0.0 112.258 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 93.4 mt -73.86 -44.83 54.26 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.402 -0.812 . . . . 0.0 111.832 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.29 -2.23 22.28 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 121.57 -0.706 . . . . 0.0 111.398 -176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.14 97.53 1.96 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.92 1.688 . . . . 0.0 109.609 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -91.28 75.28 6.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 119.93 -1.731 . . . . 0.0 111.082 -173.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.3 mp -81.47 160.27 24.01 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.525 0.73 . . . . 0.0 110.915 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.47 162.98 20.77 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.422 1.089 . . . . 0.0 109.437 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.452 ' HA ' HD12 ' A' ' 142' ' ' LEU . 1.6 m-20 -68.2 -34.35 76.1 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.066 -1.646 . . . . 0.0 111.217 -171.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -49.21 -53.06 23.16 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 127.687 2.395 . . . . 0.0 113.415 165.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.75 -42.13 86.71 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.212 1.405 . . . . 0.0 111.229 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 139' ' ' ASP . 23.1 mt -59.63 -41.02 89.52 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.654 1.182 . . . . 0.0 111.967 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -66.49 -42.49 87.35 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.714 1.205 . . . . 0.0 111.859 172.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -57.33 -40.32 77.72 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.754 -1.216 . . . . 0.0 112.938 173.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.6 mtm -56.47 -48.53 76.91 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.468 -1.395 . . . . 0.0 113.673 167.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.0 mm -55.84 -46.73 80.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.484 -1.385 . . . . 0.0 112.027 171.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -44.06 93.9 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.544 1.538 . . . . 0.0 113.715 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -53.88 -43.56 69.71 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.283 1.433 . . . . 0.0 112.486 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.95 -51.1 6.23 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -82.67 71.64 9.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.745 1.736 . . . . 0.0 109.651 -175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.54 -8.37 59.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.602 1.161 . . . . 0.0 112.09 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.29 -44.36 12.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.006 0.923 . . . . 0.0 109.225 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.4 47.35 0.87 Allowed Glycine 0 C--N 1.359 1.821 0 O-C-N 120.768 -1.208 . . . . 0.0 113.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.71 -54.35 4.3 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 171.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 119.18 11.24 7.6 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 125.117 1.342 . . . . 0.0 110.958 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -155.98 125.57 6.34 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -169.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 88.9 t -94.22 127.07 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 O-C-N 120.719 -1.238 . . . . 0.0 112.087 -155.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.6 p -72.73 173.25 9.33 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.956 1.302 . . . . 0.0 112.597 -175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -46.53 76.51 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.684 -1.26 . . . . 0.0 109.535 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -73.57 -32.18 64.01 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.807 0.843 . . . . 0.0 112.863 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -37.01 76.09 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.306 -1.496 . . . . 0.0 110.617 174.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -59.96 -51.14 70.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.427 0.691 . . . . 0.0 111.46 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.09 -42.42 80.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.68 -1.262 . . . . 0.0 113.793 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.59 -53.39 55.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.794 1.238 . . . . 0.0 112.117 171.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.303 2.4 pp -68.1 -36.28 74.77 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 119.925 1.239 . . . . 0.0 114.02 178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 96.1 mmm -67.97 -34.25 76.21 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 121.151 -0.968 . . . . 0.0 111.815 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -73.18 -40.9 64.42 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.949 -1.094 . . . . 0.0 112.036 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -60.7 -53.2 60.31 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.542 1.137 . . . . 0.0 113.426 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 23.7 m -80.59 76.58 7.45 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 120.634 1.561 . . . . 0.0 110.478 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 91.8 p -92.09 47.14 1.31 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.508 -1.37 . . . . 0.0 108.692 167.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.1 tp 62.01 62.41 1.23 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.427 1.891 . . . . 0.0 109.362 -164.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.259 1.563 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -160.642 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.492 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 52.8 mtm180 . . . . . 0 N--CA 1.51 2.571 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -81.74 70.07 8.55 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.439 -1.413 . . . . 0.0 109.221 167.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 3.3 m-20 -88.09 -50.72 6.21 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -165.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 35.6 tp -129.84 133.92 47.22 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 130.717 3.607 . . . . 0.0 106.75 -3.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -120.24 123.89 44.32 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 131.517 3.927 . . . . 0.0 105.213 -16.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -124.04 116.09 22.25 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.256 -0.902 . . . . 0.0 111.59 -165.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.92 101.48 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.025 -1.047 . . . . 0.0 108.363 164.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.445 ' CD2' HD22 ' A' ' 112' ' ' LEU . 99.1 m-70 -76.1 69.68 2.7 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.363 -0.836 . . . . 0.0 112.762 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 23.6 t -37.52 -54.97 1.12 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.409 2.684 . . . . 0.0 115.05 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.87 -0.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 55.8 tp -72.4 -20.18 61.48 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.068 1.347 . . . . 0.0 111.894 166.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.74 -50.62 3.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.164 1.785 . . . . 0.0 114.481 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -35.24 -53.08 0.62 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 128.378 2.671 . . . . 0.0 115.067 167.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.45 72.38 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 124.87 1.268 . . . . 0.0 111.259 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 16.4 tp -72.85 -47.43 46.22 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.159 -0.963 . . . . 0.0 111.011 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.58 -38.33 83.89 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 124.201 1.0 . . . . 0.0 113.555 -173.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.95 -5.93 59.27 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 122.497 1.142 . . . . 0.0 112.377 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -86.41 -42.39 13.67 Favored 'General case' 0 N--CA 1.435 -1.205 0 O-C-N 120.177 -1.577 . . . . 0.0 109.337 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 11.3 p -77.33 -39.06 27.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.877 -1.139 . . . . 0.0 112.933 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.261 1.698 0 CA-C-O 117.628 -1.177 . . . . 0.0 109.94 -175.164 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.909 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.35 169.86 15.18 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.719 0.69 . . . . 0.0 110.383 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.68 173.27 11.82 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 169.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.7 ptm -158.26 -52.37 0.07 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -77.09 135.28 38.59 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.723 1.209 . . . . 0.0 109.837 172.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -131.57 -35.03 1.32 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.143 0.977 . . . . 0.0 112.094 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -158.23 63.35 0.45 Allowed 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 104.069 -2.567 . . . . 0.0 104.069 -173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.42 -50.2 1.08 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.827 0.823 . . . . 0.0 110.91 -155.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 p -64.12 -42.47 96.84 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 125.425 1.49 . . . . 0.0 112.172 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -60.18 -36.84 78.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.634 -1.291 . . . . 0.0 112.104 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.41 -38.85 78.1 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.335 1.054 . . . . 0.0 110.648 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.77 -47.55 79.89 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.87 0.868 . . . . 0.0 111.795 167.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -63.49 -43.86 98.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 O-C-N 121.233 -0.917 . . . . 0.0 111.907 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.82 -40.72 96.26 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.079 -1.638 . . . . 0.0 112.57 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.38 -43.02 95.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.612 -1.305 . . . . 0.0 112.278 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.34 89.42 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.686 1.194 . . . . 0.0 112.502 172.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -57.77 -44.99 86.55 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.5 1.12 . . . . 0.0 112.12 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -68.57 -35.42 77.36 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.13 -27.78 68.97 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.648 -1.282 . . . . 0.0 112.745 172.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -73.16 -69.6 0.41 Allowed 'General case' 0 C--N 1.35 0.61 0 O-C-N 121.097 -1.002 . . . . 0.0 112.092 157.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.79 68.98 3.09 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.311 -1.493 . . . . 0.0 111.796 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' CG ' HH21 ' A' ' 128' ' ' ARG . 2.9 p30 -88.92 -7.28 56.37 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.728 -1.232 . . . . 0.0 111.184 173.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -82.81 -8.86 59.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.675 1.99 . . . . 0.0 109.941 171.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 58.25 50.21 10.06 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.602 1.961 . . . . 0.0 113.186 172.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.7 t -102.98 -6.44 22.39 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.352 -0.842 . . . . 0.0 110.015 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.43 13.57 75.96 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 118.828 0.74 . . . . 0.0 111.752 177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -148.67 154.52 39.78 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -172.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mt -82.22 105.91 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 169.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -84.68 156.18 21.61 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.973 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 122.6 1.19 . . . . 0.0 109.123 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -51.9 -55.56 19.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.719 2.408 . . . . 0.0 110.493 173.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.26 -26.54 42.38 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 121.455 -0.778 . . . . 0.0 112.926 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -49.49 68.11 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.824 -1.798 . . . . 0.0 111.504 167.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -64.03 -39.52 94.28 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.703 1.201 . . . . 0.0 113.718 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.445 HH21 ' CG ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -60.3 -52.86 63.46 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.623 1.169 . . . . 0.0 112.507 172.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.6 -46.38 79.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 C-N-CA 126.203 1.801 . . . . 0.0 111.266 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.91 44.08 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 18.9 pttp -74.04 -31.02 62.71 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.075 -1.016 . . . . 0.0 113.134 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.401 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -72.26 -32.96 67.12 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.153 -0.967 . . . . 0.0 112.667 178.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.89 -38.44 76.33 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 120.537 -1.352 . . . . 0.0 109.879 164.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.09 38.28 3.62 Favored Glycine 0 CA--C 1.491 -1.427 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.38 173.7 7.77 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-O 123.397 1.57 . . . . 0.0 111.814 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -92.03 -75.16 0.49 Allowed 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.793 2.037 . . . . 0.0 107.509 -174.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.1 mt 56.21 -138.6 0.99 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.76 1.624 . . . . 0.0 112.342 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.42 -158.7 0.12 Allowed 'General case' 0 CA--C 1.511 -0.556 1 N-CA-C 99.512 -4.255 . . . . 0.0 99.512 175.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.02 -38.57 11.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 121.884 2.129 . . . . 0.0 107.861 170.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -48.35 -50.26 31.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 129.635 3.174 . . . . 0.0 112.671 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.59 -43.23 71.97 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 113.997 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.5 -43.09 81.72 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.71 -1.244 . . . . 0.0 109.988 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -40.02 95.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.709 1.603 . . . . 0.0 112.006 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -54.11 -49.73 68.46 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.362 1.865 . . . . 0.0 112.18 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.46 -43.53 79.65 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.603 -1.31 . . . . 0.0 113.588 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.83 -52.09 64.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 120.717 -1.24 . . . . 0.0 112.261 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -35.4 80.31 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.815 1.246 . . . . 0.0 112.74 -178.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.63 -58.41 8.46 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.854 -1.154 . . . . 0.0 111.529 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.06 35.92 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -166.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -74.9 72.18 2.07 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 123.982 1.849 . . . . 0.0 112.612 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -88.76 -6.47 57.39 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.132 1.373 . . . . 0.0 110.797 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.69 -43.45 97.71 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.895 1.278 . . . . 0.0 110.636 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.33 39.46 4.23 Favored Glycine 0 C--N 1.359 1.821 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -107.55 -73.96 0.67 Allowed 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.761 1.625 . . . . 0.0 109.62 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 147.34 -44.84 0.79 Allowed Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -126.12 139.93 52.98 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 122.946 1.355 . . . . 0.0 111.675 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.3 t -81.15 130.1 36.42 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 CA-C-O 122.582 1.182 . . . . 0.0 112.808 -147.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 84.1 p -76.18 162.3 28.09 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 123.63 1.681 . . . . 0.0 115.066 -170.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.55 -50.65 72.69 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 128.236 2.614 . . . . 0.0 109.67 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -57.03 -47.3 81.22 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.774 1.23 . . . . 0.0 112.915 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -77.0 -28.93 55.25 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.007 1.276 . . . . 0.0 112.824 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.34 -48.62 79.0 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 121.23 -0.919 . . . . 0.0 111.65 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.99 -39.37 89.4 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 121.089 -1.007 . . . . 0.0 111.058 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -57.73 -54.67 44.31 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.067 0.947 . . . . 0.0 113.527 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 45.9 pt -62.89 -36.26 74.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 120.346 1.43 . . . . 0.0 113.204 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 1.4 mmt -73.02 -33.7 65.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.118 -0.989 . . . . 0.0 111.581 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -72.61 -40.5 66.44 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.943 -1.098 . . . . 0.0 112.807 170.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -58.46 -67.25 0.37 Allowed 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.124 1.369 . . . . 0.0 112.227 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . 0.291 54.5 m 18.64 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.809 3.244 . . . . 0.0 116.155 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 10.3 t 62.84 10.07 4.06 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 174.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 36.5 tp -110.06 -67.08 1.01 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.133 0.973 . . . . 0.0 108.468 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.264 1.821 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 N--CA 1.525 3.299 0 CA-C-O 112.343 -3.694 . . . . 0.0 103.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -169.23 172.57 7.24 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 122.059 2.209 . . . . 0.0 105.956 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -155.16 165.48 36.54 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 100.65 -3.833 . . . . 0.0 100.65 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -175.88 96.38 0.06 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.676 0.79 . . . . 0.0 111.104 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 18.1 m170 68.22 -148.53 0.14 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.721 1.208 . . . . 0.0 113.833 169.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . 0.265 1.1 p80 24.9 57.12 0.04 OUTLIER 'General case' 0 C--N 1.362 1.143 0 C-N-CA 128.938 2.895 . . . . 0.0 116.414 -166.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.2 100.48 10.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -165.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -124.61 90.73 3.3 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.397 -0.814 . . . . 0.0 110.812 -159.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 48.2 m -80.02 62.43 4.22 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.45 -1.406 . . . . 0.0 112.786 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.78 161.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 13.2 tp -95.37 -28.37 14.99 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.063 -1.023 . . . . 0.0 112.764 -171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -67.03 -26.76 66.93 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.161 -1.587 . . . . 0.0 112.23 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -41.17 -56.13 2.45 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.75 2.42 . . . . 0.0 112.801 161.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.93 -46.19 25.17 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 121.339 -0.85 . . . . 0.0 111.455 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.73 -48.65 79.74 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.86 -34.11 62.21 Favored 'General case' 0 N--CA 1.443 -0.822 0 O-C-N 120.869 -1.144 . . . . 0.0 111.674 -173.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.99 -22.81 63.1 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 121.326 0.584 . . . . 0.0 112.278 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -78.96 -52.67 7.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 123.937 0.895 . . . . 0.0 110.796 173.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 6.8 p -84.88 -34.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.261 1.702 0 O-C-N 120.993 -1.067 . . . . 0.0 112.995 -157.239 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.52 3.064 0 CA-C-O 121.191 0.52 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.17 142.46 55.7 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -133.71 135.29 43.92 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.559 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttt -153.62 160.12 42.32 Favored 'General case' 0 N--CA 1.438 -1.025 0 N-CA-C 100.503 -3.888 . . . . 0.0 100.503 167.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -155.35 52.98 0.61 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.601 1.092 . . . . 0.0 110.079 -171.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -103.51 -72.22 0.7 Allowed 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -4.59 13.32 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 120.353 -1.467 . . . . 0.0 109.349 175.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -29.11 70.48 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 129.546 3.138 . . . . 0.0 113.444 -172.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.7 p -45.69 -48.93 14.99 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 126.452 1.901 . . . . 0.0 116.017 -170.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.21 -46.28 77.78 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.014 -1.054 . . . . 0.0 112.813 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -73.19 -34.88 66.23 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.331 -0.856 . . . . 0.0 111.049 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -54.13 -42.29 69.33 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.981 2.112 . . . . 0.0 113.563 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.96 -44.56 97.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 120.319 -1.488 . . . . 0.0 111.494 174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -38.6 78.54 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.73 -1.231 . . . . 0.0 111.992 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -57.87 -49.62 76.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 126.407 1.883 . . . . 0.0 111.655 169.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.13 80.51 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.525 1.13 . . . . 0.0 112.336 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -51.56 -49.82 61.28 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.072 1.349 . . . . 0.0 113.149 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -69.39 -23.36 63.71 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.731 1.212 . . . . 0.0 113.962 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -80.28 -19.94 45.56 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.166 -1.584 . . . . 0.0 113.235 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.04 -58.84 3.03 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.36 -1.462 . . . . 0.0 108.55 162.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 118' ' ' THR . 54.2 t0 -91.57 92.14 8.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 121.13 -0.981 . . . . 0.0 111.811 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' OD2' ' NH1' ' A' ' 128' ' ' ARG . 54.1 m-20 -76.81 -27.9 55.37 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.918 0.487 . . . . 0.0 112.057 166.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.21 -52.21 13.1 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.23 1.012 . . . . 0.0 111.204 -162.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -103.51 -47.36 4.29 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 123.105 1.431 . . . . 0.0 107.677 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 114' ' ' ASP 0.311 18.8 p 80.48 38.69 0.09 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 127.731 2.412 . . . . 0.0 109.475 -174.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.3 -19.41 0.04 OUTLIER Glycine 0 C--N 1.349 1.254 0 C-N-CA 125.156 1.36 . . . . 0.0 114.123 -168.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -144.19 131.46 20.77 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.832 1.816 . . . . 0.0 111.356 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 94.3 mt -89.36 97.06 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 106.559 165.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.0 m -100.95 -171.38 1.99 Allowed 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 169.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -55.3 -55.79 27.45 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.245 1.418 . . . . 0.0 112.558 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -52.91 -45.98 67.83 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.34 2.256 . . . . 0.0 112.635 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.56 -47.11 61.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 127.95 2.5 . . . . 0.0 109.429 -176.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.47 -45.0 92.88 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 120.279 -1.513 . . . . 0.0 112.243 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.25 9.6 3.68 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.409 ' NH1' ' OD2' ' A' ' 115' ' ' ASP . 73.6 mtt-85 -77.28 -59.0 2.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.32 -1.488 . . . . 0.0 108.577 160.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -34.72 68.45 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 121.745 0.783 . . . . 0.0 111.538 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.5 -22.19 63.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 114.147 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.55 -47.17 15.97 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.916 -1.115 . . . . 0.0 111.96 169.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.9 -39.73 86.36 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-N 120.619 1.554 . . . . 0.0 113.095 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.54 -14.51 59.65 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.997 -1.064 . . . . 0.0 112.616 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.39 -2.68 86.59 Favored Glycine 0 C--N 1.35 1.319 0 O-C-N 121.048 -1.033 . . . . 0.0 113.533 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.79 -37.34 70.45 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 111.813 -174.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 70.06 -67.95 0.22 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.903 1.681 . . . . 0.0 113.082 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp 66.9 157.74 0.12 Allowed 'General case' 0 C--N 1.352 0.701 0 C-N-CA 127.995 2.518 . . . . 0.0 114.211 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 75.9 p -84.0 163.7 19.78 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.62 -1.3 . . . . 0.0 111.251 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.3 -39.63 93.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.507 1.923 . . . . 0.0 111.792 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.12 -52.35 64.64 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.2 1.0 . . . . 0.0 112.383 168.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.02 -47.1 87.24 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 121.224 -0.922 . . . . 0.0 113.086 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.0 -44.96 79.16 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 121.174 -0.954 . . . . 0.0 112.103 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -65.81 -48.88 70.22 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.534 -0.729 . . . . 0.0 112.482 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -54.86 -42.62 72.25 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.445 1.498 . . . . 0.0 113.666 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.6 mtp -61.15 -32.9 72.61 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 45.8 mm -70.44 -49.64 51.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.234 -1.541 . . . . 0.0 110.191 172.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.84 -35.42 70.88 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.714 1.606 . . . . 0.0 112.644 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.33 -52.2 65.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.949 1.7 . . . . 0.0 113.5 172.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.84 -32.23 40.58 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -160.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -76.51 118.53 19.27 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.276 1.036 . . . . 0.0 109.393 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.41 6.75 13.69 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.412 1.085 . . . . 0.0 108.293 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -125.61 -42.94 1.91 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -148.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 111.97 59.23 0.45 Allowed Glycine 0 C--N 1.352 1.456 0 C-N-CA 123.988 0.804 . . . . 0.0 112.266 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.34 -49.64 2.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.476 1.11 . . . . 0.0 108.04 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 116.29 -32.87 5.4 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.949 1.262 . . . . 0.0 110.035 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -125.48 179.5 5.09 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.39 110.37 31.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.178 -1.577 . . . . 0.0 110.446 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.4 p -88.59 -178.64 5.87 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.171 -1.581 . . . . 0.0 111.452 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.11 -36.74 80.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.385 -1.447 . . . . 0.0 112.713 -172.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.05 -39.77 95.72 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.637 0.775 . . . . 0.0 111.723 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.51 -47.63 83.1 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.38 1.472 . . . . 0.0 110.245 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.23 -49.53 77.26 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.678 1.191 . . . . 0.0 112.336 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 25.1 mt -57.15 -47.16 81.85 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.791 -1.193 . . . . 0.0 112.687 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -55.15 -55.41 31.44 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.347 1.859 . . . . 0.0 112.716 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 10.4 pt -67.45 -36.83 77.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.026 -1.046 . . . . 0.0 113.212 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 72.0 mtp -69.34 -43.56 73.41 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.633 -1.292 . . . . 0.0 111.868 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.08 -35.52 80.0 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.01 -1.056 . . . . 0.0 112.457 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -53.52 -40.41 65.42 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.264 1.026 . . . . 0.0 112.509 170.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 26.9 m -80.17 64.69 5.07 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 119.958 -1.714 . . . . 0.0 111.254 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 75.7 m -115.72 52.67 0.88 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.944 2.098 . . . . 0.0 106.917 173.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 16.2 tp 74.37 51.11 0.1 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.123 1.769 . . . . 0.0 110.87 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 C--O 1.266 1.973 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -175.303 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' B' ' 643' ' ' ASP . 69.3 ttt180 . . . . . 0 N--CA 1.513 2.704 0 CA-C-O 119.768 -0.158 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -69.92 -72.82 0.18 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 129.95 3.3 . . . . 0.0 110.351 3.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 641' ' ' ARG . 4.8 p-10 -68.82 -111.08 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.873 1.269 . . . . 0.0 110.076 165.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -138.94 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.958 1.303 . . . . 0.0 111.666 -167.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -160.61 65.46 0.32 Allowed 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.807 -1.183 . . . . 0.0 107.897 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -117.6 80.53 1.52 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.236 1.014 . . . . 0.0 112.066 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -131.77 -87.72 0.46 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 129.583 3.153 . . . . 0.0 111.03 -3.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.06 -157.45 0.45 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.062 -1.024 . . . . 0.0 113.02 -164.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 16.7 m -74.56 56.35 0.68 Allowed 'General case' 0 C--N 1.353 0.733 0 O-C-N 119.781 -1.824 . . . . 0.0 114.806 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 36.0 m -76.61 32.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.347 0.498 0 C-N-CA 127.945 2.498 . . . . 0.0 113.745 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.15 -26.65 15.39 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 128.234 2.614 . . . . 0.0 107.619 174.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -36.29 -60.37 0.57 Allowed 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.927 2.891 . . . . 0.0 115.119 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -37.42 -43.91 0.6 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 128.827 2.851 . . . . 0.0 115.562 170.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.05 -31.05 64.17 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.404 -1.435 . . . . 0.0 112.204 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.83 -53.02 6.85 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 122.232 1.015 . . . . 0.0 110.195 171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -68.85 -37.49 79.14 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.858 1.263 . . . . 0.0 113.35 -170.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -97.43 14.59 25.82 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.794 1.179 . . . . 0.0 111.768 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -85.9 -55.01 4.16 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 155.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.8 -33.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.263 1.807 0 O-C-N 121.091 -1.006 . . . . 0.0 110.416 -178.122 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.517 2.917 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 70.35 -68.34 0.21 Allowed 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.486 1.514 . . . . 0.0 109.721 -164.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -100.72 152.23 20.72 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 172.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -165.94 -56.67 0.03 OUTLIER 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.8 p -105.49 -160.53 0.76 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 150.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -106.9 0.38 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.938 1.244 . . . . 0.0 111.595 -176.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -47.94 6.36 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 5.33 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.362 1.136 0 C-N-CA 130.11 3.364 . . . . 0.0 118.476 172.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 p -41.96 -28.48 0.17 Allowed 'General case' 0 N--CA 1.447 -0.6 1 C-N-CA 132.637 4.375 . . . . 0.0 114.667 173.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -55.14 -42.45 73.05 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 119.832 -1.792 . . . . 0.0 112.389 169.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.81 -41.22 71.87 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.635 -0.665 . . . . 0.0 110.955 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -56.1 -48.39 76.23 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.849 0.86 . . . . 0.0 112.26 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -66.13 -39.42 84.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.111 1.364 . . . . 0.0 111.23 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -45.47 92.67 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.691 -1.255 . . . . 0.0 112.922 170.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -49.5 77.44 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.694 -1.254 . . . . 0.0 111.64 171.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.7 76.07 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.597 1.559 . . . . 0.0 112.976 176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.79 -48.63 72.48 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.888 1.675 . . . . 0.0 112.278 172.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.83 -34.13 69.05 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.541 -1.349 . . . . 0.0 113.145 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.6 mt -65.59 -34.35 78.04 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.537 -1.352 . . . . 0.0 112.763 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.83 -56.45 21.68 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.882 -1.136 . . . . 0.0 111.654 159.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -72.1 70.38 0.79 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.325 1.535 . . . . 0.0 114.905 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -74.26 -34.69 63.68 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.766 2.826 . . . . 0.0 109.744 170.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 8.2 t70 -62.68 -38.73 91.51 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 120.987 -1.071 . . . . 0.0 110.072 175.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.289 8.7 mt-10 74.74 57.17 0.07 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.372 1.869 . . . . 0.0 108.037 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -103.19 -19.21 14.59 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.321 -1.308 . . . . 0.0 109.664 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.17 -3.56 55.07 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 124.667 1.127 . . . . 0.0 111.64 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -143.5 156.68 44.69 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.528 1.131 . . . . 0.0 109.077 -171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.7 mt -83.14 85.82 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-O 124.502 2.096 . . . . 0.0 107.341 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 t -70.59 159.09 34.99 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 114.44 -1.255 . . . . 0.0 112.613 173.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.35 -36.09 41.37 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 125.0 1.32 . . . . 0.0 112.564 160.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -56.23 -48.88 75.61 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.961 1.704 . . . . 0.0 111.182 173.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -72.72 -40.56 66.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.009 1.723 . . . . 0.0 110.782 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -54.17 44.8 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 125.637 1.575 . . . . 0.0 112.377 175.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -24.59 59.59 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 11.3 tpt180 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.376 0.671 . . . . 0.0 110.071 162.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.59 -43.94 55.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 C-N-CA 124.649 1.179 . . . . 0.0 113.785 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.23 64.05 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.45 -31.37 42.47 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 121.166 -0.959 . . . . 0.0 113.372 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 54.7 mm-40 -61.92 -36.07 80.25 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.209 1.004 . . . . 0.0 112.881 171.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.9 -46.55 35.21 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.959 -1.088 . . . . 0.0 110.6 168.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.06 9.91 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -90.46 141.64 28.54 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 122.502 1.144 . . . . 0.0 110.641 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -87.87 42.36 1.05 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.708 -1.245 . . . . 0.0 114.096 -170.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.44 HD23 ' H ' ' A' ' 137' ' ' LEU . 1.6 pt? -91.22 144.47 25.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 122.38 1.086 . . . . 0.0 110.207 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.86 150.32 21.11 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.211 1.404 . . . . 0.0 110.017 -166.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -35.96 8.42 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 126.247 1.819 . . . . 0.0 115.419 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.06 -42.63 94.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.69 1.596 . . . . 0.0 112.94 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.5 -39.69 85.18 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.488 1.515 . . . . 0.0 110.338 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.63 -40.35 95.31 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.441 -1.412 . . . . 0.0 111.724 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -40.58 98.11 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.03 -1.043 . . . . 0.0 111.541 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.62 -49.33 65.31 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 125.085 1.354 . . . . 0.0 112.603 169.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.6 mtp -57.41 -39.78 76.89 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.072 -1.018 . . . . 0.0 113.368 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.87 -47.82 77.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 120.531 -1.356 . . . . 0.0 111.498 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.181 1.393 . . . . 0.0 111.826 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.35 -57.84 10.87 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 125.19 1.396 . . . . 0.0 112.506 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.06 -38.9 26.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -85.28 80.16 9.27 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 119.905 -1.747 . . . . 0.0 107.314 168.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 39.1 ptt85 -61.56 -26.87 68.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.654 2.382 . . . . 0.0 113.935 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 77.4 m-20 -92.01 -40.51 11.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 92.4 67.11 1.11 Allowed Glycine 0 C--N 1.357 1.698 0 O-C-N 121.739 -0.601 . . . . 0.0 113.446 164.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -154.93 -69.44 0.13 Allowed 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.969 -0.724 . . . . 0.0 111.536 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -89.89 10.28 74.39 Favored Glycine 0 CA--C 1.497 -1.073 0 C-N-CA 124.813 1.197 . . . . 0.0 114.287 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.544 8.2 pt-20 65.34 -175.06 0.18 Allowed 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.447 1.899 . . . . 0.0 113.289 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.09 106.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 124.419 2.057 . . . . 0.0 112.019 -149.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.4 m -94.51 160.54 14.6 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.138 -1.846 . . . . 0.0 112.024 -161.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' A' ' 159' ' ' GLU . 1.1 mp0 -37.86 -65.2 0.34 Allowed 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 131.047 3.739 . . . . 0.0 113.844 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.75 -16.17 61.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.785 1.234 . . . . 0.0 113.591 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -84.84 -42.79 14.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 121.173 -0.954 . . . . 0.0 110.265 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.36 -39.15 75.38 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.571 1.149 . . . . 0.0 111.267 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.42 -25.35 68.24 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.28 -58.71 5.75 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 120.757 1.617 . . . . 0.0 110.894 168.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.16 -28.78 43.8 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.832 -0.542 . . . . 0.0 111.826 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 26.2 mmt -85.6 -52.15 6.0 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -121.64 18.37 11.19 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 120.226 -1.546 . . . . 0.0 113.564 -168.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -113.35 -56.32 2.42 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 120.398 -1.439 . . . . 0.0 108.729 161.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 3.3 m -78.37 71.61 4.85 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 122.49 1.138 . . . . 0.0 112.131 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 34.3 t -62.88 -1.07 0.78 Allowed 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.222 2.209 . . . . 0.0 116.122 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -126.95 1.43 6.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.996 0.918 . . . . 0.0 111.291 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . 0.509 44.6 p90 . . . . . 0 C--O 1.265 1.896 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -163.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.517 ' N ' ' OD2' ' A' ' 116' ' ' ASP . 86.4 mtm180 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . 177.95 34.26 0.0 OUTLIER 'General case' 0 C--N 1.344 0.355 0 C-N-CA 125.197 1.399 . . . . 0.0 107.978 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.92 60.16 2.27 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 128.864 2.865 . . . . 0.0 111.985 -162.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 72.9 mt 73.18 -71.07 0.14 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.449 2.3 . . . . 0.0 111.185 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 16.7 m80 61.81 -104.92 0.17 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.147 1.779 . . . . 0.0 112.117 -175.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -148.13 169.55 19.76 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -89.66 113.01 24.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 121.547 0.689 . . . . 0.0 111.24 -175.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -91.65 54.49 2.49 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.765 -1.209 . . . . 0.0 111.963 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 17.1 m -81.3 179.83 7.68 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.882 -1.136 . . . . 0.0 110.524 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . 0.405 14.6 m 55.26 21.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 126.791 2.037 . . . . 0.0 116.491 -175.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.46 15.66 15.36 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.978 1.711 . . . . 0.0 109.63 170.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -62.3 -31.59 72.21 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.338 1.855 . . . . 0.0 110.939 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -40.14 -54.6 2.27 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 127.33 2.252 . . . . 0.0 113.524 163.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -83.5 -44.14 15.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 O-C-N 121.722 -0.611 . . . . 0.0 111.264 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.1 -47.7 70.4 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.793 -1.192 . . . . 0.0 113.482 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -72.98 -39.44 66.09 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.147 -0.971 . . . . 0.0 110.23 -172.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -76.03 -7.33 54.43 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -90.2 -48.94 6.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 123.757 0.823 . . . . 0.0 109.095 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.63 -32.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.162 -1.586 . . . . 0.0 114.81 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.995 -1.478 . . . . 0.0 111.773 -178.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.53 3.528 0 CA-C-O 112.526 -3.607 . . . . 0.0 103.461 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.43 141.51 54.04 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 125.952 2.032 . . . . 0.0 111.972 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.28 137.89 7.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 102.599 -3.112 . . . . 0.0 102.599 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.0 tpt -92.3 151.9 20.07 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.96 1.255 . . . . 0.0 108.202 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.5 m -68.84 -42.81 76.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.388 -1.445 . . . . 0.0 111.463 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.15 -174.73 2.93 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.891 1.276 . . . . 0.0 111.475 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.47 15.5 mmmt 110.34 -160.81 0.0 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 130.777 3.631 . . . . 0.0 110.902 154.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -149.69 -157.15 0.79 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -159.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.2 t -49.71 -34.99 20.38 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.523 2.729 . . . . 0.0 113.632 -174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -61.74 -34.79 76.45 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 119.781 -1.824 . . . . 0.0 113.462 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.95 -31.82 63.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.296 -1.503 . . . . 0.0 111.375 174.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -63.37 -47.66 81.15 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.201 -0.937 . . . . 0.0 111.228 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.11 -44.95 92.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 125.594 1.558 . . . . 0.0 111.475 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.87 -40.24 96.91 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.317 -1.489 . . . . 0.0 113.584 172.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.31 -47.04 87.71 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.568 -1.332 . . . . 0.0 110.614 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.08 79.19 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -54.09 -46.29 72.02 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -70.48 -18.77 62.97 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.13 1.529 . . . . 0.0 115.13 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -79.31 -29.8 42.53 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.559 -1.963 . . . . 0.0 110.67 171.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.63 -69.1 0.53 Allowed 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 123.525 0.73 . . . . 0.0 110.131 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.26 94.46 5.08 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.745 -1.222 . . . . 0.0 109.173 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -23.55 -71.73 0.02 OUTLIER 'General case' 0 C--N 1.364 1.218 0 C-N-CA 128.554 2.742 . . . . 0.0 113.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.89 46.79 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 154.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.84 -38.54 11.69 Favored 'General case' 0 C--N 1.36 1.046 0 O-C-N 121.511 -0.743 . . . . 0.0 112.276 -166.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -33.97 4.64 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 171.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.55 14.24 66.11 Favored Glycine 0 C--N 1.356 1.69 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -140.32 132.66 28.34 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 80.4 mt -73.94 108.09 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 O-C-N 119.674 -1.891 . . . . 0.0 110.42 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t -86.99 168.9 12.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 125.656 1.582 . . . . 0.0 111.774 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -57.5 -49.04 77.62 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.696 1.598 . . . . 0.0 110.826 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -56.19 -41.8 76.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.736 1.614 . . . . 0.0 112.616 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -88.41 -26.7 22.01 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.675 0.79 . . . . 0.0 111.846 -173.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.89 -36.93 84.96 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.649 -1.907 . . . . 0.0 111.645 160.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -69.6 -18.03 63.58 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 119.198 -2.189 . . . . 0.0 114.275 172.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -64.37 -48.82 74.02 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.222 -1.549 . . . . 0.0 112.263 167.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.511 HG23 HD23 ' B' ' 651' ' ' LEU . 2.1 p -60.82 -37.76 77.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.887 1.221 . . . . 0.0 111.838 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.92 -42.81 65.75 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 168.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -82.19 -24.52 34.9 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 120.04 -1.663 . . . . 0.0 113.877 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -57.02 -45.91 82.73 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 127.012 2.125 . . . . 0.0 110.775 169.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 72.3 mt -75.31 -41.98 55.64 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.71 1.204 . . . . 0.0 111.637 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.64 37.63 2.75 Favored Glycine 0 C--N 1.349 1.29 0 O-C-N 121.244 -0.91 . . . . 0.0 111.02 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -93.16 -158.46 0.61 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.546 1.165 . . . . 0.0 110.685 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -125.7 -81.4 0.62 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.175 -1.578 . . . . 0.0 107.621 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.5 mp 72.01 146.24 0.07 Allowed 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.809 2.044 . . . . 0.0 113.759 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.2 p -92.18 172.69 8.26 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.784 -1.197 . . . . 0.0 108.256 167.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -68.99 -33.52 73.81 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 126.133 1.773 . . . . 0.0 110.77 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.42 -59.03 2.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 129.185 2.994 . . . . 0.0 112.375 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -54.72 -54.54 40.51 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.308 1.843 . . . . 0.0 112.412 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.18 -46.12 91.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 121.011 -1.055 . . . . 0.0 111.677 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.45 -53.12 59.5 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.356 -0.84 . . . . 0.0 112.345 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.78 -36.13 82.89 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.742 -1.224 . . . . 0.0 112.701 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.4 mtm -57.79 -46.13 85.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 169.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.3 -54.66 30.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 O-C-N 121.405 -0.809 . . . . 0.0 111.693 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -58.17 -33.0 68.75 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.946 1.298 . . . . 0.0 113.46 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.1 -22.7 41.89 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.599 -1.313 . . . . 0.0 112.539 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.2 -70.72 0.35 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.1 105.93 16.19 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 120.341 1.428 . . . . 0.0 112.191 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -70.73 -47.73 58.19 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -155.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.56 46.45 2.64 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -98.33 -108.77 2.79 Favored Glycine 0 C--N 1.358 1.801 0 N-CA-C 116.134 1.214 . . . . 0.0 116.134 -163.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -142.17 -47.32 0.35 Allowed 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 122.293 -0.533 . . . . 0.0 109.837 -155.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 124.79 -37.35 2.61 Favored Glycine 0 CA--C 1.493 -1.314 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 -166.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.76 146.82 34.31 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-O 123.187 1.47 . . . . 0.0 108.846 167.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.4 t -92.58 108.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 120.727 -1.233 . . . . 0.0 111.444 -161.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 p -70.99 176.17 4.57 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.25 -1.531 . . . . 0.0 113.374 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.31 69.36 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.963 1.705 . . . . 0.0 112.206 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -57.35 -49.8 75.01 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 125.208 1.403 . . . . 0.0 112.773 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.46 -29.64 52.89 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.103 0.561 . . . . 0.0 111.233 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -58.14 -50.09 74.71 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.551 1.141 . . . . 0.0 111.173 163.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.73 -39.54 89.02 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.874 -1.141 . . . . 0.0 113.259 172.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -60.49 -50.51 73.26 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.349 -1.469 . . . . 0.0 112.001 171.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.429 -0.794 . . . . 0.0 112.347 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 23.7 mmt -73.46 -30.84 63.44 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.373 -1.454 . . . . 0.0 112.597 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -74.06 -20.89 60.14 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.541 -1.349 . . . . 0.0 113.287 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -55.17 -59.83 4.23 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 120.843 -1.161 . . . . 0.0 111.806 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 4.1 m -81.34 60.24 4.33 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 123.468 1.604 . . . . 0.0 110.728 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 34.4 t -101.76 25.09 8.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.858 1.663 . . . . 0.0 108.377 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 1.5 tm? 83.92 99.18 0.04 OUTLIER 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.553 2.741 . . . . 0.0 107.105 -163.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 C--O 1.259 1.587 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -175.599 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 . . . . . 0 N--CA 1.524 3.226 0 CA-C-O 112.702 -3.523 . . . . 0.0 103.603 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -150.29 -54.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.06 2.1 . . . . 0.0 106.288 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.66 138.56 58.32 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 129.899 3.28 . . . . 0.0 113.583 -177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 3.8 pp -162.11 158.57 24.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -160.33 148.5 16.62 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -158.49 166.04 33.14 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 102.04 -3.318 . . . . 0.0 102.04 172.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -117.78 -29.69 5.63 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.002 0.819 . . . . 0.0 109.443 164.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . 0.273 41.0 t-80 82.21 81.87 0.03 OUTLIER 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 128.806 2.842 . . . . 0.0 109.832 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . 0.5 ' HA ' ' H ' ' B' ' 651' ' ' LEU 0.271 6.9 p 76.91 175.7 0.19 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.61 0.764 . . . . 0.0 111.601 175.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . 0.412 ' HA ' ' HB2' ' B' ' 649' ' ' SER . 26.5 m -82.69 34.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.904 2 C-N-CA 133.83 4.852 . . . . 0.0 111.746 -3.511 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . 0.511 HD23 HG23 ' A' ' 129' ' ' VAL . 14.7 tp -65.59 -9.13 24.1 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 127.575 2.35 . . . . 0.0 114.741 -174.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.1 -26.89 68.41 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 125.057 1.343 . . . . 0.0 110.604 169.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -56.8 -41.05 77.04 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.922 -1.111 . . . . 0.0 112.349 167.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.17 -54.5 8.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.096 -1.002 . . . . 0.0 110.632 173.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.56 -43.68 98.42 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.11 -38.16 72.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 120.621 -1.299 . . . . 0.0 111.18 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.28 -18.57 63.12 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.093 0.861 . . . . 0.0 113.11 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -71.11 -51.99 21.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.229 1.011 . . . . 0.0 109.527 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 4.6 p -83.46 -36.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.268 2.069 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.715 -173.762 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.517 2.906 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.96 57.43 3.48 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.623 -1.298 . . . . 0.0 112.115 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -167.7 94.43 0.42 Allowed 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 54.8 ttm 70.49 118.1 0.04 OUTLIER 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.917 1.687 . . . . 0.0 114.224 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -171.91 164.57 6.36 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 174.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.99 155.09 19.27 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -161.33 18.46 0.11 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.065 1.412 . . . . 0.0 111.472 167.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -20.43 62.87 Favored 'General case' 0 N--CA 1.436 -1.127 1 C-N-CA 131.922 4.089 . . . . 0.0 112.12 -171.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.4 p -55.27 -25.51 34.37 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.395 1.478 . . . . 0.0 113.144 167.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -69.65 -28.03 65.55 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.466 -2.021 . . . . 0.0 114.137 172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -75.09 -30.66 60.97 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.346 -1.471 . . . . 0.0 110.774 168.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -59.67 -43.5 93.96 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 123.967 0.907 . . . . 0.0 111.577 170.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.5 mm -57.55 -47.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 112.213 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.49 -1.381 . . . . 0.0 112.632 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -53.75 51.1 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.342 1.457 . . . . 0.0 111.54 170.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.26 73.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.43 1.892 . . . . 0.0 113.798 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.34 -43.86 71.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.693 1.197 . . . . 0.0 112.143 173.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -18.81 54.98 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 176.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -75.2 -39.12 60.42 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.779 -1.826 . . . . 0.0 110.053 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.466 ' HA ' HG21 ' A' ' 129' ' ' VAL . 34.7 m-85 -61.97 -65.86 0.63 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.412 1.085 . . . . 0.0 112.476 167.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -85.31 80.25 9.22 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.581 1.181 . . . . 0.0 109.444 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.427 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 21.6 t70 -96.36 18.42 13.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 123.188 1.47 . . . . 0.0 109.685 174.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.01 3.66 30.83 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.044 1.338 . . . . 0.0 108.371 172.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 55.73 44.51 26.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.565 1.946 . . . . 0.0 115.066 169.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.1 t -111.84 -25.54 9.4 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 110.676 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 110.76 -2.06 28.92 Favored Glycine 0 C--N 1.352 1.424 0 O-C-N 121.577 -0.702 . . . . 0.0 113.186 168.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -139.06 149.8 45.01 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 103.0 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.808 -1.183 . . . . 0.0 108.758 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -68.92 161.15 29.39 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.652 0.739 . . . . 0.0 111.513 170.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -53.04 -46.15 68.34 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.899 1.28 . . . . 0.0 111.992 171.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -54.83 -41.77 71.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.053 1.341 . . . . 0.0 113.309 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.91 -34.61 33.33 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 124.893 1.277 . . . . 0.0 108.348 -170.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.94 -53.81 54.17 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.541 1.136 . . . . 0.0 111.684 166.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.299 32.9 pttt -72.58 -20.85 61.23 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.427 ' NH2' ' OD2' ' A' ' 115' ' ' ASP . 76.1 ttt180 -54.33 -51.98 63.0 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.082 1.353 . . . . 0.0 110.99 163.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 113' ' ' PHE . 44.0 t -55.51 -46.94 79.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 O-C-N 121.152 -0.968 . . . . 0.0 112.331 172.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.45 69.46 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' NZ ' ' OE1' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -75.62 -22.38 56.9 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.318 -1.489 . . . . 0.0 113.214 176.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.403 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -72.63 -39.7 67.03 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 124.693 1.197 . . . . 0.0 112.226 175.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.63 -46.03 64.07 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.932 -1.105 . . . . 0.0 110.857 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.63 68.51 0.66 Allowed Glycine 0 CA--C 1.493 -1.291 0 N-CA-C 108.927 -1.669 . . . . 0.0 108.927 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -72.85 174.78 7.24 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.98 60.92 0.85 Allowed 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 159.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.426 2.6 pt? -112.13 -53.65 2.69 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.053 171.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 139' ' ' ASP 0.313 1.2 m 106.96 160.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 128.971 2.908 . . . . 0.0 110.888 177.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.584 ' H ' HG22 ' A' ' 138' ' ' THR . 0.8 OUTLIER -48.75 -39.68 25.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 129.346 3.058 . . . . 0.0 116.793 -177.39 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.89 -46.32 53.39 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 122.577 1.179 . . . . 0.0 110.916 -168.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.2 pm0 -71.75 -29.32 64.38 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.429 -1.419 . . . . 0.0 111.73 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.39 -37.13 86.43 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.357 -2.089 . . . . 0.0 113.25 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -64.31 -38.59 91.59 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.422 -1.424 . . . . 0.0 110.88 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -54.43 -43.64 71.76 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.384 -0.822 . . . . 0.0 112.887 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.7 mtp -57.11 -41.83 79.73 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.82 -1.175 . . . . 0.0 113.455 172.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.79 -50.14 80.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.481 -1.387 . . . . 0.0 111.96 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -39.49 92.87 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 112.504 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.01 -55.11 38.08 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.735 1.614 . . . . 0.0 112.091 170.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.35 -43.44 50.56 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -82.89 67.04 8.8 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.303 -1.498 . . . . 0.0 109.728 175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.402 ' NH1' ' OD2' ' A' ' 152' ' ' ASP . 9.8 mtp-105 -53.83 -49.46 68.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.355 2.262 . . . . 0.0 114.065 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.402 ' OD2' ' NH1' ' A' ' 151' ' ' ARG . 62.1 m-20 -94.09 -19.97 20.34 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.085 0.554 . . . . 0.0 110.628 -168.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.07 63.55 0.99 Allowed Glycine 0 C--N 1.358 1.773 0 O-C-N 121.242 -0.911 . . . . 0.0 111.605 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.13 -38.26 36.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.392 1.877 . . . . 0.0 108.27 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 134.85 -37.29 1.96 Allowed Glycine 0 C--N 1.356 1.678 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 173.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -148.42 173.12 13.42 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.68 110.71 18.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-O 123.268 1.509 . . . . 0.0 109.209 -172.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.1 p -100.98 177.31 4.99 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -151.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.87 -51.5 63.45 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 127.818 2.447 . . . . 0.0 110.734 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -65.37 -49.99 67.23 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.142 0.977 . . . . 0.0 112.285 174.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.89 -32.06 61.74 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 120.295 -1.503 . . . . 0.0 112.753 -169.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.97 -44.22 96.63 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.603 -0.685 . . . . 0.0 110.943 170.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.41 -28.62 68.07 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.846 -1.159 . . . . 0.0 113.773 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -62.24 -63.25 1.3 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.194 1.361 . . . . 0.0 111.177 165.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.3 pt -65.15 -22.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 120.525 -1.359 . . . . 0.0 113.474 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 24.8 mmt -100.62 10.78 40.72 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.473 1.109 . . . . 0.0 113.411 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . 0.281 0.2 OUTLIER -69.71 -55.44 9.94 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 119.916 -1.74 . . . . 0.0 109.2 168.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . 0.464 0.0 OUTLIER 48.44 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.36 1.047 0 C-N-CA 128.618 2.767 . . . . 0.0 116.609 -169.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.3 t -39.98 142.87 0.31 Allowed 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.287 3.435 . . . . 0.0 118.095 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 20.4 m -74.59 -22.84 58.76 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.726 1.61 . . . . 0.0 111.329 169.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 45.7 tp -121.32 89.06 3.05 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.262 1.742 0 C-N-CA 126.932 2.093 . . . . 0.0 112.014 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.515 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 16.5 tpt180 . . . . . 0 N--CA 1.511 2.577 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -72.31 72.98 0.96 Allowed 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.38 -1.45 . . . . 0.0 109.19 157.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.6 OUTLIER -108.53 -62.66 1.43 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.492 1.517 . . . . 0.0 108.764 -170.22 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -62.06 -31.36 71.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -102.88 176.81 5.03 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 123.168 1.461 . . . . 0.0 112.18 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -70.92 72.15 0.55 Allowed 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -175.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -50.48 134.05 24.17 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.836 1.655 . . . . 0.0 114.437 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.21 -60.27 2.95 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.054 -2.904 . . . . 0.0 113.335 -13.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 3.0 p -147.83 160.59 42.59 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 131.538 3.935 . . . . 0.0 106.597 -7.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.31 -55.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -163.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 tp 71.21 -42.42 0.53 Allowed 'General case' 0 C--N 1.355 0.847 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -59.89 -41.4 91.55 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.349 -1.469 . . . . 0.0 110.467 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -30.03 -59.62 0.17 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 130.109 3.364 . . . . 0.0 114.896 156.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -77.43 -36.99 52.62 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.334 1.054 . . . . 0.0 111.172 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.63 -46.84 88.78 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.626 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -70.85 -37.86 73.15 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.206 -0.934 . . . . 0.0 112.863 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.17 -15.53 62.53 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.224 -1.547 . . . . 0.0 113.745 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -85.56 -63.84 1.26 Allowed 'General case' 0 N--CA 1.435 -1.224 0 C-N-CA 124.888 1.275 . . . . 0.0 109.944 163.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.93 -17.47 8.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -162.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.26 1.647 0 O-C-N 120.739 -1.226 . . . . 0.0 109.966 -177.002 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.568 ' N ' ' HG ' ' A' ' 98' ' ' SER . 12.9 t . . . . . 0 N--CA 1.504 2.26 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -49.83 -42.69 47.77 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.465 2.306 . . . . 0.0 114.337 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -133.7 144.75 49.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.006 -2.591 . . . . 0.0 104.006 160.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' THR . 63.4 mtm 66.27 163.6 0.17 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.44 1.496 . . . . 0.0 114.414 -173.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.568 ' HG ' ' N ' ' A' ' 94' ' ' THR . 48.5 m -169.15 -175.63 2.34 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -70.01 120.9 16.42 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.903 0.881 . . . . 0.0 111.647 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -148.63 131.01 15.65 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -24.57 -70.86 0.03 OUTLIER 'General case' 0 C--N 1.35 0.63 0 C-N-CA 129.214 3.006 . . . . 0.0 117.462 178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.9 p -57.99 -56.98 14.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 124.832 1.253 . . . . 0.0 112.966 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -62.43 -37.81 87.27 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.794 -1.191 . . . . 0.0 112.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.38 -57.74 10.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.701 1.201 . . . . 0.0 110.715 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -59.5 -39.64 84.44 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -67.19 -43.58 88.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 O-C-N 120.468 -1.395 . . . . 0.0 111.515 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.66 -42.77 98.05 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.301 -1.499 . . . . 0.0 111.733 173.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -57.49 -49.22 76.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.235 1.414 . . . . 0.0 111.828 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.97 84.54 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 121.071 -1.018 . . . . 0.0 112.859 171.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -56.49 -48.13 77.81 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.353 1.061 . . . . 0.0 112.872 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.9 -27.76 61.21 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.714 -1.241 . . . . 0.0 113.195 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.165 -1.584 . . . . 0.0 111.982 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.405 ' CD2' HG11 ' A' ' 129' ' ' VAL . 5.0 m-85 -64.8 -58.14 7.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.154 -0.966 . . . . 0.0 111.246 162.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -74.29 54.04 0.54 Allowed 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.663 1.585 . . . . 0.0 112.058 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -54.81 -34.87 63.27 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.667 3.187 . . . . 0.0 110.42 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -81.06 -8.75 59.84 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 53.0 55.67 8.61 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.689 2.395 . . . . 0.0 114.044 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.8 t -111.38 -9.45 14.25 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.55 -20.03 52.04 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 120.389 -1.444 . . . . 0.0 113.465 167.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -138.91 135.43 34.43 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.0 mt -75.83 97.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.433 0 O-C-N 120.613 -1.304 . . . . 0.0 108.453 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.2 m -67.23 167.48 12.15 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.055 1.742 . . . . 0.0 112.959 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.95 -50.18 67.04 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.954 1.302 . . . . 0.0 112.673 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -64.72 -36.83 85.55 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 121.052 -1.03 . . . . 0.0 112.526 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.69 -40.86 72.65 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 123.66 0.784 . . . . 0.0 110.394 176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.34 -44.34 88.7 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.681 -1.262 . . . . 0.0 112.021 173.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -28.25 62.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.807 -1.183 . . . . 0.0 113.265 176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -56.84 -59.67 4.7 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.529 -1.357 . . . . 0.0 112.107 165.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.405 HG11 ' CD2' ' A' ' 113' ' ' PHE . 8.6 p -58.36 -39.15 73.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 120.443 -1.41 . . . . 0.0 112.38 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.59 75.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.72 -54.08 50.31 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.61 -1.306 . . . . 0.0 111.929 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -32.1 64.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 121.012 0.434 . . . . 0.0 111.615 -166.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.01 -48.06 63.97 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.065 1.346 . . . . 0.0 110.665 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.69 68.72 0.44 Allowed Glycine 0 C--N 1.354 1.575 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -77.86 -167.61 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -175.21 37.77 0.01 OUTLIER 'General case' 0 C--N 1.351 0.67 0 C-N-CA 125.956 1.703 . . . . 0.0 108.079 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.5 -132.18 0.29 Allowed 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 53.9 m -166.12 160.48 16.33 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.18 -34.67 23.41 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 128.215 2.606 . . . . 0.0 114.758 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.46 -56.71 18.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.752 2.021 . . . . 0.0 111.958 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -53.43 -47.61 69.48 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.85 1.66 . . . . 0.0 112.763 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.65 -37.58 82.0 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.61 -1.307 . . . . 0.0 113.0 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.37 -39.32 85.68 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.396 -1.44 . . . . 0.0 112.014 172.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -66.66 -39.61 88.25 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.023 -1.048 . . . . 0.0 111.798 175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 88.6 mtp -57.46 -46.77 83.28 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.826 -1.171 . . . . 0.0 113.176 167.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.8 mm -57.07 -48.26 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 O-C-N 120.146 -1.596 . . . . 0.0 112.389 170.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.412 ' OD1' ' NH2' ' A' ' 151' ' ' ARG . 8.3 t70 -57.03 -49.44 75.82 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.954 1.252 . . . . 0.0 111.492 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -38.4 -47.51 1.25 Allowed 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.095 1.758 . . . . 0.0 113.482 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.11 -63.84 1.32 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 166.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -89.95 95.44 10.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.85 2.06 . . . . 0.0 110.385 -166.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.412 ' NH2' ' OD1' ' A' ' 147' ' ' ASP . 13.1 mmp_? -61.21 -49.42 77.22 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.051 1.74 . . . . 0.0 112.411 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.5 -44.83 93.01 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 127.429 2.291 . . . . 0.0 110.735 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.3 -21.52 37.17 Favored Glycine 0 C--N 1.357 1.704 0 O-C-N 121.466 -0.771 . . . . 0.0 112.311 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -96.75 -53.52 3.52 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 125.973 1.709 . . . . 0.0 109.983 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -80.25 52.03 4.24 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 125.189 1.376 . . . . 0.0 115.64 -167.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -9.45 171.95 0.0 OUTLIER 'General case' 0 C--N 1.352 0.713 1 C-N-CA 135.803 5.641 . . . . 0.0 121.483 174.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.8 t -92.4 103.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 O-C-N 117.059 -3.526 . . . . 0.0 113.537 -153.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 91.5 p -86.03 -178.83 6.64 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.671 -1.893 . . . . 0.0 111.322 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -63.97 -30.44 71.52 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -70.59 -41.39 72.41 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 120.862 -1.149 . . . . 0.0 111.925 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -66.34 -40.5 89.9 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.016 -1.053 . . . . 0.0 109.904 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.71 -52.25 66.31 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.089 1.755 . . . . 0.0 111.576 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.99 -47.54 64.86 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 120.564 -1.335 . . . . 0.0 112.436 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -55.71 -54.45 44.13 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 124.111 0.964 . . . . 0.0 113.26 174.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.44 -17.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 90.8 mmm -73.72 -45.93 49.16 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.586 -1.321 . . . . 0.0 110.619 167.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -67.87 -49.07 64.11 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.257 -0.902 . . . . 0.0 112.708 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . 0.365 0.2 OUTLIER 41.8 -97.49 0.02 OUTLIER 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.822 2.449 . . . . 0.0 115.436 -178.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 24.4 m -145.49 61.67 1.28 Allowed 'General case' 0 CA--C 1.502 -0.89 0 O-C-N 119.463 -2.023 . . . . 0.0 106.462 155.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 22.8 t -87.73 36.75 0.77 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.046 -1.034 . . . . 0.0 111.335 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -155.15 -64.37 0.12 Allowed 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--O 1.263 1.805 0 C-N-CA 127.775 2.43 . . . . 0.0 108.481 -170.733 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.505 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 87.9 mtm180 . . . . . 0 N--CA 1.511 2.61 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -69.62 -43.27 73.06 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 130.562 3.545 . . . . 0.0 113.611 5.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 4.0 m-20 71.23 -120.9 0.09 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.173 1.789 . . . . 0.0 111.158 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.71 143.8 51.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' B' ' 648' ' ' HIS . 13.5 t-160 -81.35 61.89 5.03 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.404 -0.81 . . . . 0.0 112.818 -170.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . 0.437 ' CD2' ' HG3' ' B' ' 647' ' ' GLN . 18.6 t60 -128.36 161.73 28.76 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 176.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . 0.437 ' HG3' ' CD2' ' B' ' 646' ' ' HIS . 70.7 mt-30 47.81 54.7 9.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.122 2.169 . . . . 0.0 116.004 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . 0.4 ' CE1' ' CD2' ' B' ' 645' ' ' HIS . 41.5 m-70 -49.04 -46.51 44.32 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -170.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 8.1 t -85.05 -158.8 0.39 Allowed 'General case' 0 C--N 1.351 0.661 0 CA-C-O 121.918 0.866 . . . . 0.0 111.652 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.61 170.82 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 125.677 1.591 . . . . 0.0 108.772 175.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.9 tp 73.48 -52.73 0.7 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 126.175 1.79 . . . . 0.0 113.928 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.42 -36.19 73.22 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 125.526 1.53 . . . . 0.0 110.039 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -11.63 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 130.637 3.575 . . . . 0.0 115.396 152.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -90.32 -35.46 15.24 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.131 -174.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.2 tp -67.8 -35.21 78.23 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.074 -1.016 . . . . 0.0 111.944 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -41.35 66.18 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 120.98 -1.075 . . . . 0.0 111.134 175.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.09 62.78 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.11 -1.618 . . . . 0.0 112.821 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.86 -60.82 2.04 Favored 'General case' 0 N--CA 1.429 -1.503 0 C-N-CA 124.014 0.926 . . . . 0.0 110.382 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.84 -36.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -168.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.256 1.419 0 O-C-N 120.792 -1.192 . . . . 0.0 113.704 -162.027 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.518 2.953 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -71.44 93.53 1.18 Allowed 'General case' 0 C--N 1.355 0.83 0 O-C-N 120.87 -1.144 . . . . 0.0 111.754 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -152.88 149.53 28.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.07 147.32 26.73 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m -172.59 163.38 5.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.43 105.97 16.16 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 mmpm? -166.07 79.32 0.27 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.02 -140.24 0.3 Allowed 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.596 0.712 . . . . 0.0 111.521 -156.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.9 p -57.36 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -148.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.42 -31.0 71.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.721 -1.237 . . . . 0.0 112.003 -172.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.25 -38.57 78.51 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.848 -1.157 . . . . 0.0 112.145 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH2' ' B' ' 653' ' ' ARG . 7.9 tt0 -68.5 -35.29 77.3 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.486 -1.384 . . . . 0.0 111.577 172.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.7 -52.49 56.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 O-C-N 120.536 -1.352 . . . . 0.0 111.38 168.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.9 mt -57.34 -45.04 84.7 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.434 -1.416 . . . . 0.0 113.612 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -59.98 -45.11 93.77 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.919 -1.113 . . . . 0.0 112.317 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -46.3 91.03 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.904 1.282 . . . . 0.0 112.047 173.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.82 -45.58 74.44 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 121.083 -1.011 . . . . 0.0 112.096 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -68.53 -27.1 65.8 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.8 mt -69.79 -28.17 65.51 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.426 -1.421 . . . . 0.0 113.059 171.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -85.12 -46.08 11.46 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.438 -0.789 . . . . 0.0 110.797 169.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -89.88 71.95 7.55 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 119.732 -1.855 . . . . 0.0 111.335 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -40.41 86.64 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.894 1.678 . . . . 0.0 111.835 170.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.418 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 55.2 m-20 -80.1 -10.76 59.78 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.468 1.107 . . . . 0.0 111.221 -164.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 68.87 47.22 0.81 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.697 1.599 . . . . 0.0 111.9 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -97.99 -12.47 21.92 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.437 -0.789 . . . . 0.0 110.86 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.91 13.51 74.75 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 120.965 -1.085 . . . . 0.0 112.217 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -136.94 150.69 48.34 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 -174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 82.1 mt -101.07 100.67 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 160.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -81.55 179.39 7.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.249 1.023 . . . . 0.0 111.417 169.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -60.47 -36.14 77.55 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.546 -1.346 . . . . 0.0 111.372 168.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.15 -43.4 98.95 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.42 -1.425 . . . . 0.0 111.144 174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -68.97 -38.66 79.5 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 111.786 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -57.58 -50.31 73.54 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.96 0.904 . . . . 0.0 111.286 167.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 ttmm -59.97 -39.52 85.93 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.871 -1.143 . . . . 0.0 113.961 174.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.418 ' NH2' ' OD2' ' A' ' 116' ' ' ASP . 28.7 mmt85 -49.62 -53.69 22.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.436 1.471 . . . . 0.0 112.647 173.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.14 -39.6 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 111.375 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -58.45 -37.24 75.04 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -17.51 49.89 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.008 1.276 . . . . 0.0 114.109 174.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -77.07 -34.18 57.04 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.545 -1.347 . . . . 0.0 110.781 170.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.22 -49.03 38.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.348 -0.845 . . . . 0.0 110.023 165.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.68 104.39 2.82 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.93 113.16 2.64 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -108.89 14.88 23.9 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -132.41 153.55 50.7 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.195 -1.779 . . . . 0.0 106.195 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 m -80.26 156.63 26.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.946 0.879 . . . . 0.0 111.008 -172.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.37 -33.53 63.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 127.513 2.325 . . . . 0.0 113.683 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.87 -39.31 58.75 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 127.101 2.16 . . . . 0.0 113.424 168.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -75.25 -40.81 58.54 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.854 -1.154 . . . . 0.0 110.456 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.453 HD12 HD12 ' A' ' 126' ' ' LEU . 1.1 mm? -61.68 -40.57 95.45 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 120.722 -1.236 . . . . 0.0 111.589 172.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.36 -47.81 84.45 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.933 1.293 . . . . 0.0 112.636 170.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -56.44 -43.64 79.66 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.366 1.466 . . . . 0.0 112.492 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.7 mtp -54.84 -44.14 73.68 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 120.682 -1.261 . . . . 0.0 113.897 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.5 mm -62.79 -49.6 83.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.998 -1.064 . . . . 0.0 111.646 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.64 -43.1 97.78 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.187 0.995 . . . . 0.0 112.581 -174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.2 -26.71 63.07 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.465 -1.397 . . . . 0.0 112.185 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.48 -59.67 3.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 118.8 -2.438 . . . . 0.0 113.214 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -69.49 97.44 1.0 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-O 123.384 1.564 . . . . 0.0 113.445 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -37.64 14.03 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 126.761 2.025 . . . . 0.0 107.71 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 -43.52 95.58 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.471 1.508 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.04 67.07 0.93 Allowed Glycine 0 C--N 1.353 1.509 0 O-C-N 121.421 -0.799 . . . . 0.0 112.171 174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -105.43 -52.28 2.86 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.449 1.5 . . . . 0.0 107.527 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 126.71 -41.99 1.54 Allowed Glycine 0 CA--C 1.495 -1.188 0 N-CA-C 108.256 -1.937 . . . . 0.0 108.256 -170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -115.13 158.74 21.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 122.658 1.218 . . . . 0.0 108.085 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.11 113.07 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 O-C-N 120.205 -1.559 . . . . 0.0 109.575 -167.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.2 p -84.85 163.46 19.03 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.342 1.057 . . . . 0.0 111.085 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 0.2 OUTLIER -68.49 -30.04 68.78 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.197 -1.564 . . . . 0.0 113.407 -169.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -59.09 -33.75 71.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 126.144 1.778 . . . . 0.0 113.869 170.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.72 -48.05 12.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.486 1.114 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -51.08 -49.41 60.72 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 125.898 1.679 . . . . 0.0 112.267 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -65.59 -48.93 70.67 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 120.575 -1.328 . . . . 0.0 112.496 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -70.11 -28.91 37.78 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 O-C-N 121.588 -0.695 . . . . 0.0 111.219 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 20.6 mmt -69.97 -47.47 62.14 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.491 -0.756 . . . . 0.0 112.168 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.011 1.324 . . . . 0.0 113.136 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -58.51 -72.69 0.09 Allowed 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.547 -0.72 . . . . 0.0 112.036 162.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.1 m 24.47 66.97 0.04 OUTLIER 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.41 2.284 . . . . 0.0 114.766 -160.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 95.1 p -97.56 18.66 14.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 124.354 1.062 . . . . 0.0 109.932 -169.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 35.4 tp 73.72 70.44 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 -141.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--O 1.264 1.846 0 C-N-CA 126.771 2.028 . . . . 0.0 112.991 -173.696 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.501 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 87.9 mtt-85 . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -83.91 121.0 26.76 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 129.856 3.262 . . . . 0.0 110.204 -1.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.2 OUTLIER -163.08 167.56 22.14 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 -173.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 90.2 mt -139.94 144.58 37.15 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -170.45 -173.05 1.36 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.046 -3.316 . . . . 0.0 102.046 173.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -89.9 131.76 35.65 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.173 0.987 . . . . 0.0 108.711 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.48 -5.95 28.43 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -161.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . 0.269 68.4 m-70 83.1 157.64 0.12 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 126.605 1.962 . . . . 0.0 110.019 -165.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 1.9 m -145.89 166.87 24.7 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -156.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 26.4 m -102.79 -175.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 130.339 3.455 . . . . 0.0 111.982 5.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 15.9 tp 76.06 -56.25 0.58 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.073 1.749 . . . . 0.0 115.589 162.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -75.51 -6.85 52.27 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.824 -1.172 . . . . 0.0 112.668 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH2' ' OE1' ' A' ' 105' ' ' GLU . 12.1 mmt180 -56.29 -57.99 9.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.812 2.045 . . . . 0.0 110.73 161.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -73.76 -43.3 59.41 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.356 1.462 . . . . 0.0 110.698 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.79 -36.28 83.08 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.456 -0.778 . . . . 0.0 113.092 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -71.95 -41.22 68.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.654 -1.278 . . . . 0.0 112.253 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.78 -24.5 66.2 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.427 -0.796 . . . . 0.0 111.594 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -106.04 29.68 6.51 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 124.485 1.114 . . . . 0.0 111.454 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . 0.32 52.6 t 136.58 -51.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.969 0 C-N-CA 128.43 2.692 . . . . 0.0 111.901 154.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.265 1.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -150.226 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . 0.338 70.7 mt-30 77.0 158.33 0.2 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.481 1.912 . . . . 0.0 110.285 -163.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -134.53 156.1 49.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -162.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.5 mtt -89.4 155.14 19.52 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m 179.02 79.91 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 121.136 -0.978 . . . . 0.0 109.289 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -117.65 -39.26 3.16 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 121.639 0.733 . . . . 0.0 109.283 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HD3' ' H ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -134.79 -94.49 0.28 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.12 -2.178 . . . . 0.0 105.12 169.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.484 ' H ' ' HD3' ' A' ' 100' ' ' LYS . 9.9 m-20 68.28 -78.9 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.064 1.746 . . . . 0.0 115.712 149.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.9 t -49.66 -48.19 49.62 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.493 1.917 . . . . 0.0 115.083 -156.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -68.3 -37.28 80.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.739 -1.226 . . . . 0.0 113.014 -176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -82.19 -34.2 29.11 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.627 -1.296 . . . . 0.0 110.847 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.408 ' OE1' ' NH1' ' B' ' 653' ' ' ARG . 13.8 tp10 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 126.068 1.747 . . . . 0.0 111.736 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.93 -39.51 84.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 O-C-N 121.12 -0.987 . . . . 0.0 111.553 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.45 -44.71 92.9 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.396 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -58.79 -56.74 18.28 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.358 -0.839 . . . . 0.0 111.92 168.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.73 82.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.67 -39.98 88.39 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.635 -1.291 . . . . 0.0 109.996 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -33.38 74.5 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 mt -67.88 -41.06 83.36 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 121.037 -1.039 . . . . 0.0 112.867 170.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -75.52 -51.0 13.98 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.853 -1.155 . . . . 0.0 113.173 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.14 99.09 6.82 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.932 -1.105 . . . . 0.0 110.504 -172.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -68.61 -50.92 47.78 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.004 2.121 . . . . 0.0 112.287 -166.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -87.65 -4.55 58.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.62 1.568 . . . . 0.0 110.836 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.353 15.8 pt-20 49.43 57.44 6.5 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.321 2.648 . . . . 0.0 114.978 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -83.46 -14.13 53.19 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.302 -0.874 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.62 28.2 8.07 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -149.21 126.1 11.2 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -83.04 92.62 2.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.924 -1.735 . . . . 0.0 107.187 164.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.1 p -79.08 167.06 21.59 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.227 1.011 . . . . 0.0 111.575 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.03 -39.81 79.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.031 0.932 . . . . 0.0 111.35 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -60.3 -48.79 80.23 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 124.87 1.268 . . . . 0.0 111.553 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -75.21 -30.31 60.57 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 121.562 0.696 . . . . 0.0 110.76 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -52.54 65.33 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.344 -1.472 . . . . 0.0 112.242 164.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.46 -35.61 76.29 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 119.918 -1.739 . . . . 0.0 113.059 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -56.09 26.28 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.88 1.272 . . . . 0.0 111.542 168.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.53 -34.35 69.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.247 -1.533 . . . . 0.0 112.692 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.16 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 120.569 -1.332 . . . . 0.0 113.39 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.83 -30.09 67.52 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.312 -1.493 . . . . 0.0 113.443 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.06 -38.61 82.64 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.196 0.907 . . . . 0.0 112.24 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -42.71 81.78 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.774 -1.204 . . . . 0.0 111.077 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.08 58.63 0.78 Allowed Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 153.38 43.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.06 63.14 1.6 Allowed 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 168.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.81 -126.14 0.16 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 87.3 m -145.4 -108.75 0.1 Allowed 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 101.546 -3.502 . . . . 0.0 101.546 156.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -132.59 -30.88 1.41 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 121.223 1.829 . . . . 0.0 111.394 167.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -52.03 -45.92 64.81 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 128.574 2.75 . . . . 0.0 112.601 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -54.2 -51.32 64.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.205 1.802 . . . . 0.0 113.551 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.2 -21.55 42.83 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 119.936 -1.727 . . . . 0.0 111.998 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -42.28 81.39 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.651 -1.28 . . . . 0.0 110.909 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -55.71 -47.31 77.07 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 111.04 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 98.7 mtp -50.53 -49.78 54.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 170.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 mm -57.53 -54.68 28.01 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 124.304 1.041 . . . . 0.0 112.535 172.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.33 -36.28 82.5 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.783 0.833 . . . . 0.0 112.691 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.88 -40.38 91.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.833 -1.167 . . . . 0.0 110.809 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.77 20.89 Favored 'General case' 0 N--CA 1.443 -0.811 0 O-C-N 120.755 -1.216 . . . . 0.0 112.866 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.64 45.87 0.42 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-O 123.572 1.653 . . . . 0.0 111.816 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 32.8 ttm105 -61.42 -32.31 72.27 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.641 1.976 . . . . 0.0 112.684 -173.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -128.07 14.03 6.76 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.253 1.021 . . . . 0.0 110.497 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -105.8 -124.56 5.36 Favored Glycine 0 C--N 1.361 1.921 0 N-CA-C 117.43 1.732 . . . . 0.0 117.43 -155.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -149.21 42.78 0.94 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-O 122.169 0.985 . . . . 0.0 109.965 -165.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.62 -38.7 2.49 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 119.294 -2.128 . . . . 0.0 112.832 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -125.62 142.38 51.54 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 127.105 2.162 . . . . 0.0 106.379 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.23 126.82 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-O 122.036 0.922 . . . . 0.0 111.52 -155.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 p -76.34 168.66 19.66 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.808 1.243 . . . . 0.0 111.998 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.82 -39.46 94.27 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 121.03 -1.044 . . . . 0.0 113.256 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.83 -38.99 80.22 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.779 -1.201 . . . . 0.0 111.263 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.76 -39.37 80.29 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.623 -1.298 . . . . 0.0 110.271 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.5 -49.72 76.7 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.385 1.074 . . . . 0.0 112.148 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.59 -50.58 53.48 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.573 1.149 . . . . 0.0 113.478 170.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -55.78 -50.33 70.75 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.042 0.937 . . . . 0.0 113.457 176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.428 HD13 ' CG ' ' B' ' 658' ' ' TRP 0.295 2.0 pp -74.02 -29.21 24.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 178.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.93 66.53 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.679 -1.263 . . . . 0.0 111.744 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -69.05 -74.56 0.13 Allowed 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.554 169.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 49.78 -91.99 0.02 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -170.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.1 m -43.29 101.93 0.02 OUTLIER 'General case' 0 C--N 1.362 1.152 0 C-N-CA 128.398 2.679 . . . . 0.0 113.366 174.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 54.0 m -124.39 46.69 2.24 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -174.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 87.46 56.12 0.01 OUTLIER 'General case' 0 C--N 1.355 0.806 0 C-N-CA 128.154 2.581 . . . . 0.0 108.212 -169.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--O 1.261 1.688 0 CA-C-O 117.316 -1.326 . . . . 0.0 107.797 -178.097 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.519 ' N ' ' OD2' ' B' ' 643' ' ' ASP . 89.5 mtt180 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 119.822 -0.132 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -84.39 75.09 10.27 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.639 -1.288 . . . . 0.0 109.323 171.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 641' ' ' ARG . 0.5 OUTLIER -120.28 -73.64 0.64 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.607 1.163 . . . . 0.0 109.164 -175.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 62.6 mt 66.41 71.68 0.39 Allowed 'General case' 0 C--N 1.349 0.585 0 C-N-CA 127.24 2.216 . . . . 0.0 112.29 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -129.63 -40.02 1.42 Allowed 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 118.009 -2.932 . . . . 0.0 111.149 4.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -66.76 88.22 0.14 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.679 1.591 . . . . 0.0 113.347 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.71 59.0 0.84 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.955 1.302 . . . . 0.0 112.928 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -76.63 118.92 19.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.829 1.252 . . . . 0.0 107.86 172.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 9.6 t -134.4 97.25 3.77 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -165.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . 0.533 ' H ' ' CE1' ' B' ' 652' ' ' HIS . 3.3 t -130.06 -119.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.742 -0.599 . . . . 0.0 109.466 -166.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 30.1 tp -76.82 -28.08 55.43 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.591 -1.943 . . . . 0.0 111.511 -176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . 0.533 ' CE1' ' H ' ' B' ' 650' ' ' VAL . 19.9 p-80 -63.71 -26.97 68.89 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.822 1.649 . . . . 0.0 112.399 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' A' ' 105' ' ' GLU . 92.5 mtt180 -42.55 -59.95 1.71 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.652 1.581 . . . . 0.0 112.659 165.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.69 83.76 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 124.795 1.238 . . . . 0.0 111.781 -172.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.23 -48.66 41.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.622 -0.674 . . . . 0.0 112.291 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -69.37 -44.64 71.12 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.796 -1.19 . . . . 0.0 111.679 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -87.27 5.82 36.38 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.253 -0.904 . . . . 0.0 111.659 -175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . 0.428 ' CG ' HD13 ' A' ' 165' ' ' ILE . 1.2 t90 -78.03 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.633 -1.292 . . . . 0.0 107.643 156.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.05 -46.39 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -169.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.26 1.646 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -171.025 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.519 3.012 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -76.59 111.97 12.64 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 121.018 -1.051 . . . . 0.0 111.633 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -138.69 -59.58 0.61 Allowed 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.78 -0.575 . . . . 0.0 109.972 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 63.6 mtt -93.33 7.57 43.88 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.269 -0.895 . . . . 0.0 113.018 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 t -92.41 -126.07 0.09 Allowed 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.809 1.243 . . . . 0.0 109.463 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.44 96.41 0.06 Allowed 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.513 1.925 . . . . 0.0 108.997 166.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 9.46 9.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.421 1.088 . . . . 0.0 108.632 173.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.31 -44.8 1.24 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.941 1.696 . . . . 0.0 113.073 -143.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.358 3.6 t -98.1 -94.56 0.23 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.623 -1.298 . . . . 0.0 110.577 -171.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -70.95 -33.75 70.79 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.12 -2.237 . . . . 0.0 109.35 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.3 -36.7 71.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 170.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -67.02 -40.6 87.27 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 117.818 -3.051 . . . . 0.0 112.46 172.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 35.6 mm -62.84 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 O-C-N 120.913 -1.117 . . . . 0.0 110.832 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.29 -40.98 92.38 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.222 1.809 . . . . 0.0 113.142 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -62.34 -43.24 99.3 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 126.216 1.807 . . . . 0.0 112.732 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.71 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.402 -0.811 . . . . 0.0 111.71 169.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -55.78 -43.29 76.62 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.479 1.512 . . . . 0.0 113.136 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -55.92 -38.14 69.87 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 127.753 2.421 . . . . 0.0 114.025 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.08 -39.38 90.0 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.211 1.004 . . . . 0.0 111.577 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -66.9 -52.92 37.47 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.376 -0.827 . . . . 0.0 112.543 167.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.08 54.77 0.55 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 125.446 1.498 . . . . 0.0 114.398 -173.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 47.4 t0 -41.12 -45.49 2.76 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 131.157 3.783 . . . . 0.0 113.888 172.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -89.56 -4.39 57.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.125 1.37 . . . . 0.0 111.941 -166.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 61.49 62.84 1.26 Allowed 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.745 1.618 . . . . 0.0 112.179 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -129.7 -17.88 3.56 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.552 0.741 . . . . 0.0 112.363 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.58 28.44 43.32 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 119.521 1.055 . . . . 0.0 113.147 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -156.62 122.45 4.86 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 55.1 mt -80.0 95.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 O-C-N 120.234 -1.541 . . . . 0.0 108.955 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 p -78.44 176.27 9.53 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 122.958 1.361 . . . . 0.0 111.67 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -51.62 -46.51 63.65 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.45 1.9 . . . . 0.0 112.693 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -58.56 -50.15 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.824 1.25 . . . . 0.0 111.524 175.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -59.49 -41.97 91.04 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 125.801 1.64 . . . . 0.0 112.016 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -46.75 82.66 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.985 0.914 . . . . 0.0 113.207 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -19.56 57.11 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.559 -1.338 . . . . 0.0 114.195 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.447 ' NH1' ' OE2' ' A' ' 132' ' ' GLU . 3.5 tmt_? -59.07 -52.42 65.83 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 126.46 1.904 . . . . 0.0 110.3 166.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.1 -44.47 91.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 C-N-CA 125.048 1.339 . . . . 0.0 112.072 173.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.7 -43.88 69.32 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.97 -24.6 59.64 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.447 ' OE2' ' NH1' ' A' ' 128' ' ' ARG . 96.5 mt-10 -66.85 -42.75 85.21 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.279 -0.888 . . . . 0.0 112.147 172.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.2 -43.08 68.09 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.239 -0.913 . . . . 0.0 110.696 170.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.04 38.84 4.48 Favored Glycine 0 CA--C 1.494 -1.271 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -175.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.15 159.06 16.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 122.421 1.105 . . . . 0.0 112.417 -171.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.95 82.01 5.13 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.264 -0.897 . . . . 0.0 111.966 -170.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pt? -153.28 159.68 42.59 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 121.192 -0.943 . . . . 0.0 113.082 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.2 m -118.54 -110.1 0.35 Allowed 'General case' 0 C--N 1.353 0.761 0 C-N-CA 126.985 2.114 . . . . 0.0 110.74 -149.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -111.49 -54.15 2.64 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 119.917 -1.739 . . . . 0.0 106.688 163.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -42.8 -53.17 4.73 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 130.699 3.6 . . . . 0.0 114.443 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -73.71 -33.1 64.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.703 1.601 . . . . 0.0 110.66 -172.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.56 -43.82 72.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.752 1.221 . . . . 0.0 109.241 172.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -62.07 -44.33 96.91 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.289 1.436 . . . . 0.0 111.553 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -54.26 -52.65 60.72 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.055 1.742 . . . . 0.0 111.899 169.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 mtm -55.03 -44.99 75.16 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.638 -1.289 . . . . 0.0 114.235 174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.67 -47.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 121.37 -0.832 . . . . 0.0 112.636 174.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.06 -25.66 59.95 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.054 -1.029 . . . . 0.0 113.069 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -64.4 -50.41 67.73 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.543 -1.348 . . . . 0.0 109.664 164.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.85 -54.26 16.74 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -79.9 94.47 5.86 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.971 -1.081 . . . . 0.0 112.536 -164.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -85.09 -23.21 28.6 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 120.52 -1.362 . . . . 0.0 111.792 -169.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.61 -40.28 61.64 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.875 1.27 . . . . 0.0 109.474 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 100.31 43.29 2.39 Favored Glycine 0 C--N 1.358 1.754 0 O-C-N 120.74 -1.225 . . . . 0.0 111.024 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -85.6 -52.95 5.47 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.973 1.309 . . . . 0.0 107.844 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.46 17.29 7.16 Favored Glycine 0 C--N 1.351 1.386 0 C-N-CA 125.648 1.594 . . . . 0.0 109.757 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.9 119.56 0.16 Allowed 'General case' 0 N--CA 1.436 -1.135 0 CA-C-O 123.68 1.705 . . . . 0.0 108.119 -162.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.16 116.68 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.255 -148.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.4 p -76.75 168.45 20.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 124.588 1.155 . . . . 0.0 112.796 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -43.18 89.4 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.166 -1.583 . . . . 0.0 113.209 -174.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -59.21 -37.45 77.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.042 1.337 . . . . 0.0 114.036 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.483 1.113 . . . . 0.0 110.178 175.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -52.2 -46.42 65.58 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.046 1.738 . . . . 0.0 112.393 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.4 mt -58.44 -36.99 74.49 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -69.15 -49.94 52.25 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 120.285 -1.509 . . . . 0.0 110.96 174.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 pp -76.38 -12.92 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 113.001 -171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 15.2 mmt -74.65 -39.93 61.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 120.543 -1.348 . . . . 0.0 112.192 167.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -33.48 38.68 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 119.937 -1.727 . . . . 0.0 112.272 171.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 72.01 -79.7 0.04 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.185 2.194 . . . . 0.0 112.679 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 50.6 m 82.07 103.63 0.06 Allowed 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 127.676 2.39 . . . . 0.0 110.383 -163.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 41.1 t -126.46 48.42 2.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 166.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 23.1 tp 73.72 61.41 0.09 Allowed 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.467 1.907 . . . . 0.0 107.629 -161.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.267 1.989 0 N-CA-C 104.411 -2.44 . . . . 0.0 104.411 -168.743 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 660' ' ' THR . 83.7 mtp180 . . . . . 0 N--CA 1.502 2.137 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' ALA . . . . . . . . . . . . . . . -99.1 -166.99 1.42 Allowed 'General case' 0 C--N 1.361 1.099 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.2 147.8 24.09 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 118.528 2.788 . . . . 0.0 118.528 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 50.0 tp -134.75 102.96 5.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 157.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -90.37 42.88 1.12 Allowed 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.55 -1.344 . . . . 0.0 111.53 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -124.58 105.27 9.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -138.14 -70.93 0.43 Allowed 'General case' 0 CA--C 1.51 -0.576 0 O-C-N 118.552 -2.592 . . . . 0.0 107.188 -8.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -87.81 152.31 22.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 121.523 -0.736 . . . . 0.0 110.017 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' SER . . . . . . . . . . . . . 42.2 m 60.51 29.18 18.82 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' VAL . . . . . . . . . . . . . 13.8 m -77.38 64.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 123.341 1.543 . . . . 0.0 111.478 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.85 -26.8 13.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 125.881 1.673 . . . . 0.0 111.097 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -65.82 -32.28 73.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 125.399 1.479 . . . . 0.0 110.076 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -50.34 -55.86 13.75 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.602 1.961 . . . . 0.0 112.301 162.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.76 84.8 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.453 -1.404 . . . . 0.0 112.251 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.0 -49.88 72.92 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.096 -1.003 . . . . 0.0 112.524 175.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.55 -13.7 59.85 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 120.786 -1.196 . . . . 0.0 112.613 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -73.06 -22.73 60.56 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 122.315 2.325 . . . . 0.0 111.707 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -77.87 -49.28 14.55 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.936 0.894 . . . . 0.0 110.109 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 7.0 p -100.12 -23.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 -172.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 641' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.092 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -179.65 . . . . . . . . 2 2 . 1 stop_ save_