data_2lt3_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 2lt3 _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 ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -142.1 -34.5 0.46 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.267 1.427 . . . . 0.0 112.856 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 tp -59.82 105.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.112 1.365 . . . . 0.0 112.179 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.1 176.58 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.949 1.7 . . . . 0.0 112.102 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -119.67 179.42 4.24 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.187 2.195 . . . . 0.0 110.896 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -27.35 7.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -53.73 -60.59 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.085 1.754 . . . . 0.0 112.373 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -40.88 89.02 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.22 1.008 . . . . 0.0 110.536 175.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.67 -49.24 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.634 1.106 . . . . 0.0 111.082 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -55.88 -43.19 76.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.881 0.873 . . . . 0.0 111.895 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -64.37 -49.84 70.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.092 0.957 . . . . 0.0 111.574 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -52.0 -52.76 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.422 1.489 . . . . 0.0 111.076 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.02 -42.51 63.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.624 0.37 . . . . 0.0 111.499 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -25.01 63.27 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.974 1.31 . . . . 0.0 114.497 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -73.14 -45.29 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.716 1.606 . . . . 0.0 110.723 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -12.7 41.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -30.17 41.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.014 1.726 . . . . 0.0 113.279 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.81 143.03 38.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.346 1.058 . . . . 0.0 112.748 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -105.84 -8.79 17.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.351 1.46 . . . . 0.0 113.923 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.3 6.78 28.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.896 1.679 . . . . 0.0 112.893 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -78.82 -11.18 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.319 1.848 . . . . 0.0 113.55 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -40.68 108.9 0.1 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.287 2.235 . . . . 0.0 112.117 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.91 151.13 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.41 0.684 . . . . 0.0 111.568 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.86 149.44 47.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.281 1.033 . . . . 0.0 112.165 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 p -66.4 -44.61 82.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.829 1.251 . . . . 0.0 114.057 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -59.25 -40.49 86.14 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.19 -0.944 . . . . 0.0 111.363 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.4 m -79.09 -27.18 42.93 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 112.69 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -52.56 -43.93 65.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.986 1.314 . . . . 0.0 112.607 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -51.69 -44.08 62.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.196 0.999 . . . . 0.0 112.577 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -79.47 -38.7 33.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.937 1.295 . . . . 0.0 111.858 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -54.63 -35.7 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.756 1.223 . . . . 0.0 112.289 175.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -53.62 -43.36 68.62 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.606 0.762 . . . . 0.0 110.668 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -63.39 -59.14 5.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.534 1.534 . . . . 0.0 112.762 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.13 -52.18 59.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.397 0.544 . . . . 0.0 111.001 176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -58.56 -37.87 76.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.069 0.948 . . . . 0.0 112.788 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.54 -33.22 67.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.699 1.136 . . . . 0.0 112.482 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -80.43 -37.23 32.45 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.275 -0.891 . . . . 0.0 111.191 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -17.82 2.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mm -74.42 -18.86 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.651 1.181 . . . . 0.0 113.049 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -121.59 -36.11 3.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.737 2.015 . . . . 0.0 112.216 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 t -113.64 -20.78 11.07 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.077 1.351 . . . . 0.0 112.993 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.15 143.73 32.39 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 122.441 1.023 . . . . 0.0 111.299 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.3 m -77.79 170.41 16.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.868 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.6 -49.75 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.415 1.886 . . . . 0.0 113.617 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -60.26 -27.74 67.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.432 1.093 . . . . 0.0 112.587 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.38 -47.99 10.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.282 1.433 . . . . 0.0 112.496 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -48.7 -48.57 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.505 1.502 . . . . 0.0 111.782 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.54 98.05 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.23 -38.71 90.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.599 0.76 . . . . 0.0 111.86 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.02 -67.64 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.067 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -35.38 61.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -62.45 -53.34 56.25 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.758 1.623 . . . . 0.0 111.005 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.02 -53.54 40.57 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 119.021 -0.514 . . . . 0.0 110.182 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mp -54.87 -38.78 67.96 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -50.05 68.52 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.19 -26.4 62.94 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.64 -34.69 71.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 113.005 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -29.48 21.38 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.655 1.182 . . . . 0.0 111.99 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.68 20.47 72.13 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.31 0.957 . . . . 0.0 113.671 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.93 173.45 13.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.072 1.749 . . . . 0.0 111.329 -175.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -60.43 2.3 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.933 1.293 . . . . 0.0 112.398 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.88 86.95 3.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.154 0.982 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.1 154.99 18.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.957 0.503 . . . . 0.0 111.678 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -66.23 163.11 18.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.064 -0.397 . . . . 0.0 110.641 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.65 -38.96 61.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.365 0.666 . . . . 0.0 111.92 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.52 47.48 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.981 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -67.98 -41.43 82.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.699 1.749 . . . . 0.0 111.126 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -53.87 -33.97 57.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.563 1.145 . . . . 0.0 112.952 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -59.49 4.55 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.971 1.259 . . . . 0.0 113.096 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.9 ttm -76.38 -39.02 54.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.201 0.601 . . . . 0.0 112.181 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -56.13 -44.16 78.89 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -49.32 -39.81 32.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.948 1.299 . . . . 0.0 112.567 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -73.97 -54.06 8.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.875 0.87 . . . . 0.0 111.091 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.34 63.76 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -62.31 -53.73 50.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.908 2.083 . . . . 0.0 111.434 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -59.97 -22.42 62.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.459 0.704 . . . . 0.0 112.778 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.48 -34.81 13.95 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.686 1.594 . . . . 0.0 113.311 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.18 -59.82 4.08 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.622 1.569 . . . . 0.0 109.645 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -19.25 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -67.29 -51.28 54.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.971 1.708 . . . . 0.0 112.423 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.47 -47.31 61.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.693 0.797 . . . . 0.0 110.764 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.06 -16.49 64.05 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.41 1.084 . . . . 0.0 113.073 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.4 t -44.62 -37.06 3.37 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.12 2.568 . . . . 0.0 113.485 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.97 15.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.527 1.131 . . . . 0.0 112.188 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.18 57.59 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -45.86 77.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.322 1.049 . . . . 0.0 111.884 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.66 37.67 3.48 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.46 1.904 . . . . 0.0 113.291 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -164.66 0.5 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.354 1.862 . . . . 0.0 112.213 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -65.39 160.75 21.24 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.101 1.361 . . . . 0.0 111.632 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -55.61 -28.11 53.34 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.021 -1.05 . . . . 0.0 113.082 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -27.58 13.39 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.831 1.653 . . . . 0.0 112.268 175.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.93 -52.92 62.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.904 1.229 . . . . 0.0 111.5 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.18 -46.83 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.577 1.151 . . . . 0.0 112.293 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -56.3 -46.44 79.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.856 0.862 . . . . 0.0 111.734 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -73.88 -36.03 64.76 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.282 1.033 . . . . 0.0 112.121 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -56.19 -23.05 32.92 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.677 1.126 . . . . 0.0 112.758 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -53.17 -37.99 62.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.313 0.96 . . . . 0.0 111.406 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -61.73 -33.2 73.63 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.36 -25.53 39.13 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.781 2.033 . . . . 0.0 112.498 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.9 mt -87.4 -61.15 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.762 1.225 . . . . 0.0 110.897 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.45 2.41 25.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.56 1.544 . . . . 0.0 112.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.531 2.332 . . . . 0.0 113.393 -179.722 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 -36.21 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.988 1.315 . . . . 0.0 112.793 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.42 127.86 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.766 0.826 . . . . 0.0 110.527 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.25 175.3 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 126.921 2.088 . . . . 0.0 112.192 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -109.55 176.86 4.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.655 1.982 . . . . 0.0 110.583 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -23.52 7.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.837 1.255 . . . . 0.0 114.168 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.0 -54.02 51.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.108 1.363 . . . . 0.0 112.288 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -42.4 94.72 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.045 174.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -55.0 -28.5 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.646 0.591 . . . . 0.0 110.952 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.3 -48.78 13.52 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.621 -1.3 . . . . 0.0 111.475 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.12 -50.56 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.06 0.944 . . . . 0.0 112.549 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.16 -46.96 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.86 1.264 . . . . 0.0 112.155 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -56.89 -40.26 75.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.596 0.635 . . . . 0.0 111.061 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -29.33 70.44 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.077 1.351 . . . . 0.0 113.934 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.68 -56.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.996 0.918 . . . . 0.0 110.123 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -15.06 61.44 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -28.42 39.69 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.858 1.263 . . . . 0.0 114.145 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.79 139.0 41.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.366 1.066 . . . . 0.0 112.897 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.16 -7.5 21.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 114.173 -177.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -89.05 3.73 50.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.847 1.659 . . . . 0.0 113.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.63 -14.53 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.21 1.804 . . . . 0.0 113.949 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -52.39 104.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.145 2.178 . . . . 0.0 113.061 -171.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.52 143.71 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.703 0.801 . . . . 0.0 111.175 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 147.87 39.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.357 1.463 . . . . 0.0 113.475 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -36.16 82.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.984 1.314 . . . . 0.0 114.471 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.92 -43.36 98.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.063 0.945 . . . . 0.0 111.329 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -80.24 -25.23 39.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.726 1.21 . . . . 0.0 112.559 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -53.56 -43.4 68.42 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.79 1.236 . . . . 0.0 113.006 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -50.92 -42.14 59.27 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.845 0.858 . . . . 0.0 113.173 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.94 -38.92 26.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.777 1.231 . . . . 0.0 111.83 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -55.45 -37.24 67.47 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.016 1.326 . . . . 0.0 112.443 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.85 -42.23 62.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.666 0.786 . . . . 0.0 110.386 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.39 -56.39 11.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.778 1.231 . . . . 0.0 113.412 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.07 -49.39 73.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.027 0.83 . . . . 0.0 111.654 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -60.18 -36.09 76.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.872 0.869 . . . . 0.0 112.626 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -32.73 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.61 1.095 . . . . 0.0 112.081 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.74 -36.74 36.87 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.059 -1.026 . . . . 0.0 111.452 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -54.2 -22.41 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.27 -19.43 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.211 1.404 . . . . 0.0 112.565 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -122.63 -34.14 3.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.682 1.993 . . . . 0.0 112.464 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.35 -26.19 9.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.594 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.28 144.65 32.2 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 125.368 1.461 . . . . 0.0 111.352 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -84.4 -177.25 6.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.325 -0.938 . . . . 0.0 113.006 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -48.34 -52.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.844 1.658 . . . . 0.0 113.925 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -60.77 -28.05 68.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.813 1.245 . . . . 0.0 112.203 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -85.87 -50.7 6.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.217 1.407 . . . . 0.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.0 -49.21 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.527 1.531 . . . . 0.0 111.156 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.37 75.24 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.49 -33.47 64.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.797 -1.189 . . . . 0.0 111.855 174.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.09 -62.88 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.649 1.18 . . . . 0.0 111.118 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -32.75 71.49 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -59.03 -54.89 41.98 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 126.628 1.971 . . . . 0.0 110.48 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -53.05 52.45 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.487 0.492 . . . . 0.0 110.73 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.4 -47.87 66.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.837 1.255 . . . . 0.0 112.661 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.86 -50.6 73.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -69.39 -29.49 67.25 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.06 -26.5 64.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.702 1.201 . . . . 0.0 112.414 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -106.17 -32.27 8.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.767 1.227 . . . . 0.0 113.288 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 23.15 76.74 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.804 1.192 . . . . 0.0 113.854 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.25 157.3 47.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.379 1.472 . . . . 0.0 112.716 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -63.17 -34.93 78.7 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.62 1.968 . . . . 0.0 114.741 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.92 109.59 14.81 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.003 2.121 . . . . 0.0 109.028 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 172.89 9.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.517 0.727 . . . . 0.0 112.297 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.38 162.97 5.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.1 0.56 . . . . 0.0 112.042 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -50.22 -45.08 53.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.778 0.831 . . . . 0.0 112.449 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.0 -52.72 26.63 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.012 0.815 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.21 -37.63 83.69 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.072 -1.252 . . . . 0.0 112.432 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.93 64.06 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.696 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -56.31 22.13 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.796 1.18 . . . . 0.0 111.785 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.0 ttm -76.4 -37.75 56.68 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.963 0.505 . . . . 0.0 111.95 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.04 -49.09 74.71 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.383 0.673 . . . . 0.0 111.782 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.24 -39.74 57.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.772 1.229 . . . . 0.0 112.415 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -74.27 -49.43 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.091 0.956 . . . . 0.0 111.118 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.27 75.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.237 1.015 . . . . 0.0 113.411 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.47 69.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.281 2.232 . . . . 0.0 110.989 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 t -61.01 -21.39 63.53 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.361 1.064 . . . . 0.0 112.749 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.4 -37.4 12.6 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 113.48 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.69 -58.62 4.47 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.8 1.24 . . . . 0.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -16.03 19.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -67.27 -49.45 64.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.344 1.858 . . . . 0.0 111.712 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.45 -48.37 34.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.55 0.69 . . . . 0.0 110.147 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.71 -15.5 61.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.468 1.507 . . . . 0.0 113.502 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -23.03 6.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.659 1.984 . . . . 0.0 114.115 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -69.09 0.26 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.832 1.253 . . . . 0.0 111.868 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -10.95 60.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -41.2 42.97 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.668 1.187 . . . . 0.0 112.393 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 42.81 32.54 0.4 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.626 2.371 . . . . 0.0 114.207 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -167.55 -165.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.657 2.383 . . . . 0.0 111.633 -167.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 m -73.04 166.29 23.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.344 1.458 . . . . 0.0 112.665 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -58.91 -28.4 66.16 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.686 -1.259 . . . . 0.0 112.923 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -24.62 18.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.264 1.426 . . . . 0.0 112.575 175.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.02 -59.69 5.06 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 121.055 1.752 . . . . 0.0 110.293 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.8 mt -76.19 -39.58 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.901 -0.499 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.69 -49.0 79.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.736 0.814 . . . . 0.0 112.364 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -74.44 -30.5 61.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -55.95 -21.97 23.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.027 1.285 . . . . 0.0 112.717 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.0 mt -54.2 -35.49 62.42 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.989 0.916 . . . . 0.0 112.892 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -27.71 27.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.607 1.563 . . . . 0.0 112.219 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.49 -67.81 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.376 1.071 . . . . 0.0 110.644 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -78.16 -10.5 59.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.781 1.233 . . . . 0.0 113.415 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 128.305 2.642 . . . . 0.0 113.794 179.418 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 120.461 0.172 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.65 -32.65 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.721 1.209 . . . . 0.0 112.464 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.19 107.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.068 1.347 . . . . 0.0 111.922 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.36 176.26 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.101 1.76 . . . . 0.0 112.229 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 177.67 4.66 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.756 2.023 . . . . 0.0 110.342 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.95 -30.26 5.75 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.891 1.277 . . . . 0.0 113.532 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -52.4 -57.63 9.23 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.168 1.387 . . . . 0.0 113.585 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.59 88.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.287 174.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.47 -31.6 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.639 0.587 . . . . 0.0 110.684 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -50.16 16.95 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 120.563 -1.336 . . . . 0.0 111.779 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.65 -52.95 63.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.567 1.147 . . . . 0.0 112.271 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 p -55.91 -45.29 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.817 1.247 . . . . 0.0 111.587 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -56.86 -43.69 81.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.809 0.731 . . . . 0.0 110.63 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -25.47 66.52 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.17 -53.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 110.226 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -15.5 59.85 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -28.97 38.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.304 1.442 . . . . 0.0 113.927 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.5 141.4 38.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.483 1.113 . . . . 0.0 112.81 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.93 -13.82 16.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.204 1.401 . . . . 0.0 113.548 -176.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -84.61 3.62 36.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.319 1.847 . . . . 0.0 113.355 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.93 -13.3 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.175 1.79 . . . . 0.0 113.975 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -44.71 106.15 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.091 2.157 . . . . 0.0 112.608 -176.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -69.32 154.8 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.648 0.779 . . . . 0.0 112.042 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.23 148.61 51.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.195 0.998 . . . . 0.0 112.378 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -66.72 -38.28 86.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.1 m -65.54 -45.21 84.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.095 0.958 . . . . 0.0 110.855 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.1 m -72.56 -26.12 61.61 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.464 1.106 . . . . 0.0 112.792 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -52.91 -42.64 65.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.378 1.071 . . . . 0.0 112.571 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.88 -37.31 68.66 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.429 -0.795 . . . . 0.0 112.939 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -44.05 20.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.403 1.481 . . . . 0.0 111.388 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -32.18 20.03 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.037 1.335 . . . . 0.0 113.178 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.4 -39.68 70.47 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.763 0.425 . . . . 0.0 111.075 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -65.0 -64.5 0.85 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.761 1.624 . . . . 0.0 112.455 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -54.31 -40.61 68.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.904 0.775 . . . . 0.0 112.218 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -66.93 -39.04 87.23 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.992 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.5 mtt -59.66 -33.06 71.06 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.79 1.177 . . . . 0.0 112.207 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.14 -33.61 38.41 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.259 -0.9 . . . . 0.0 111.47 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -58.19 -13.66 5.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -72.96 -33.85 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.953 1.301 . . . . 0.0 112.885 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -28.56 6.73 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.862 1.265 . . . . 0.0 113.416 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.08 -33.62 10.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.977 1.711 . . . . 0.0 111.165 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.79 51.8 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-O 122.71 1.172 . . . . 0.0 112.867 -173.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -88.4 176.01 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.624 -1.288 . . . . 0.0 111.859 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.41 -49.21 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.029 1.732 . . . . 0.0 112.748 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -59.37 -31.9 69.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -82.45 -48.29 11.25 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.618 1.167 . . . . 0.0 112.688 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 mm -48.76 -50.32 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.923 1.289 . . . . 0.0 111.308 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.74 -33.68 76.19 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.99 -34.56 71.51 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.83 -1.169 . . . . 0.0 112.106 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.84 -64.11 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.06 1.344 . . . . 0.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -33.74 70.79 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -60.56 -55.75 29.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 125.907 1.683 . . . . 0.0 110.565 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -51.52 64.22 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 123.497 0.498 . . . . 0.0 110.444 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.22 -44.84 68.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.494 1.118 . . . . 0.0 112.73 175.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.4 -50.62 73.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.47 -29.16 63.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.76 -36.87 75.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.545 1.538 . . . . 0.0 112.001 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -29.09 29.7 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.07 16.1 72.58 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.763 1.173 . . . . 0.0 114.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -154.99 160.59 41.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.14 1.376 . . . . 0.0 111.821 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -63.14 -39.41 94.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.644 1.578 . . . . 0.0 114.171 174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.41 77.7 8.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.1 152.32 20.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.362 0.665 . . . . 0.0 112.588 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -67.19 154.54 41.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 122.66 0.384 . . . . 0.0 110.404 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -51.01 -42.53 60.47 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.594 0.758 . . . . 0.0 112.357 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 -52.09 51.1 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.434 1.016 . . . . 0.0 113.477 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.34 -37.78 86.12 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.218 -1.166 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -57.22 -30.69 64.8 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.996 1.318 . . . . 0.0 112.615 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -57.79 -56.74 18.05 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.772 1.169 . . . . 0.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.35 -37.63 57.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.464 0.705 . . . . 0.0 112.072 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.29 -47.47 81.38 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.049 0.94 . . . . 0.0 111.679 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.38 -39.28 46.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.743 1.217 . . . . 0.0 112.753 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -53.22 13.37 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.946 0.898 . . . . 0.0 110.935 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.81 66.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.989 0.915 . . . . 0.0 113.395 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -63.98 -55.2 24.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.08 2.152 . . . . 0.0 110.951 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -60.73 -20.16 60.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.293 1.037 . . . . 0.0 112.695 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 mt -92.39 -40.63 10.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.362 1.465 . . . . 0.0 112.809 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.61 -60.06 2.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.594 1.557 . . . . 0.0 110.215 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -18.47 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -63.59 -45.11 91.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.089 1.756 . . . . 0.0 112.059 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.44 -48.92 11.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 122.115 0.96 . . . . 0.0 109.455 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.5 -19.14 63.28 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.426 1.891 . . . . 0.0 113.095 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -42.61 -38.28 1.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 128.025 2.53 . . . . 0.0 113.195 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -59.58 4.62 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.8 1.24 . . . . 0.0 112.374 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.58 -22.84 50.32 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -46.1 48.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.849 1.26 . . . . 0.0 111.101 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.3 t70 47.83 29.37 1.58 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.101 2.16 . . . . 0.0 114.111 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -166.14 1.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.819 2.448 . . . . 0.0 111.155 -169.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 m -66.46 161.63 22.37 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.987 1.315 . . . . 0.0 112.385 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -55.52 -28.04 52.4 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.893 -1.129 . . . . 0.0 113.249 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -29.35 12.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.978 1.711 . . . . 0.0 112.404 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.26 -53.15 59.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.81 1.186 . . . . 0.0 111.619 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.18 -46.28 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.506 1.123 . . . . 0.0 112.371 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.31 -46.47 72.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.472 0.709 . . . . 0.0 111.23 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -33.91 62.81 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.33 -24.27 42.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.245 1.384 . . . . 0.0 112.289 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -55.26 -35.69 65.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.007 0.821 . . . . 0.0 111.697 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.86 -32.42 72.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.95 0.9 . . . . 0.0 112.785 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -80.73 -33.71 34.98 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.415 1.486 . . . . 0.0 111.716 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.2 mt -76.41 -63.0 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.125 0.97 . . . . 0.0 111.103 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -80.27 -0.76 37.86 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.182 1.393 . . . . 0.0 113.247 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 128.28 2.632 . . . . 0.0 113.433 -177.811 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.02 -40.62 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.286 1.434 . . . . 0.0 112.163 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.09 129.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.211 0.604 . . . . 0.0 110.398 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.79 176.43 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.288 1.835 . . . . 0.0 112.324 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -111.94 171.35 7.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.273 1.829 . . . . 0.0 110.572 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -51.18 -31.09 18.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.808 1.243 . . . . 0.0 113.561 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.26 -52.06 60.23 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.087 1.355 . . . . 0.0 112.689 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.62 -32.11 71.76 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.16 0.984 . . . . 0.0 110.62 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.64 -42.69 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.853 0.861 . . . . 0.0 109.872 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -66.51 -28.83 68.86 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.371 -1.456 . . . . 0.0 113.199 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -77.51 -55.71 5.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.181 0.993 . . . . 0.0 112.553 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -53.46 -38.78 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.276 1.031 . . . . 0.0 111.818 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.1 -29.38 68.56 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -79.3 -28.29 42.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.751 1.221 . . . . 0.0 112.807 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.66 -53.6 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.295 1.038 . . . . 0.0 110.766 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -9.29 59.67 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -56.63 -27.14 57.73 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.97 145.66 42.36 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.377 1.071 . . . . 0.0 112.791 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -110.54 -2.85 16.27 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.47 4.82 52.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.622 1.169 . . . . 0.0 113.061 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.86 -16.21 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.007 1.723 . . . . 0.0 113.846 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -47.19 116.99 1.56 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.474 1.91 . . . . 0.0 113.072 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.7 t -85.6 132.98 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.722 0.809 . . . . 0.0 110.667 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.89 147.63 18.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.398 1.479 . . . . 0.0 113.458 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -58.57 -36.32 73.76 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.244 1.418 . . . . 0.0 114.533 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 m -60.64 -45.21 94.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.835 1.254 . . . . 0.0 111.57 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.4 m -78.61 -28.16 45.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 111.774 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -56.58 -47.31 79.83 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.342 1.457 . . . . 0.0 113.316 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -32.15 43.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.627 0.771 . . . . 0.0 112.164 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -85.41 -43.37 13.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.335 1.454 . . . . 0.0 111.238 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -55.58 -33.81 64.25 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.26 1.824 . . . . 0.0 112.576 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.96 -40.09 60.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.652 0.781 . . . . 0.0 110.383 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.43 -55.83 10.52 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 113.627 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.0 -49.95 70.21 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.041 0.837 . . . . 0.0 111.377 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.31 -34.94 76.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.863 0.865 . . . . 0.0 112.79 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.506 1.048 . . . . 0.0 111.924 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -79.12 -33.79 43.96 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.177 -0.952 . . . . 0.0 111.452 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -19.78 48.51 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.647 . . . . 0.0 112.532 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.61 -19.62 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.55 1.14 . . . . 0.0 112.349 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -121.35 -33.34 3.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.304 1.842 . . . . 0.0 112.341 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.0 p -113.28 -25.27 8.93 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.432 1.493 . . . . 0.0 112.689 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.94 150.12 42.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 124.617 1.103 . . . . 0.0 111.32 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -176.84 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.356 -0.922 . . . . 0.0 113.139 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 54' ' ' PHE . 2.9 p -48.2 -52.8 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.477 1.111 . . . . 0.0 113.848 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.412 ' H ' HG12 ' A' ' 53' ' ' VAL . 53.4 m-85 -59.37 -33.86 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.117 1.367 . . . . 0.0 111.918 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -79.92 -50.05 11.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.213 1.005 . . . . 0.0 112.062 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -49.38 -50.01 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.6 1.56 . . . . 0.0 111.35 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.1 88.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.69 -32.63 74.18 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.776 -1.202 . . . . 0.0 113.665 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.13 -66.23 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 123.561 0.745 . . . . 0.0 110.552 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -32.05 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -57.68 -56.57 20.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 126.084 1.754 . . . . 0.0 109.962 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -53.42 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.55 0.34 . . . . 0.0 111.541 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt -51.83 -44.74 63.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.572 0.749 . . . . 0.0 112.339 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.84 -49.81 73.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.401 1.0 . . . . 0.0 113.562 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.48 -22.38 64.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -42.42 62.99 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.176 0.991 . . . . 0.0 112.415 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -94.61 -26.43 16.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.006 0.922 . . . . 0.0 112.562 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.54 12.37 81.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.895 1.236 . . . . 0.0 114.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.05 166.01 29.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.382 1.873 . . . . 0.0 111.755 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -63.0 -33.27 75.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.758 1.223 . . . . 0.0 113.871 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.76 91.19 5.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.073 1.349 . . . . 0.0 111.311 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.01 152.77 23.2 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.453 1.101 . . . . 0.0 112.706 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.7 m -64.53 154.81 34.93 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.257 0.623 . . . . 0.0 111.016 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -51.12 -45.6 61.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.149 0.98 . . . . 0.0 112.487 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.15 54.5 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.298 0.951 . . . . 0.0 112.995 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.76 -40.32 96.9 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.982 1.391 . . . . 0.0 111.711 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -31.05 61.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.024 0.93 . . . . 0.0 112.917 177.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -56.66 19.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.306 1.042 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.5 ttm -75.92 -38.82 57.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.438 0.695 . . . . 0.0 112.024 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.62 -48.73 71.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.602 -0.713 . . . . 0.0 111.274 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.66 -40.88 41.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.808 1.243 . . . . 0.0 112.783 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -73.43 -51.47 17.13 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.673 0.789 . . . . 0.0 111.084 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -31.0 68.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.088 0.955 . . . . 0.0 113.271 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -54.91 26.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.377 2.271 . . . . 0.0 110.616 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -20.08 61.24 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.211 1.004 . . . . 0.0 112.753 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.37 -39.69 11.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.572 1.549 . . . . 0.0 112.861 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -47.43 -57.04 5.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.335 1.454 . . . . 0.0 110.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -13.99 16.73 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -69.1 -44.31 72.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.611 1.964 . . . . 0.0 112.374 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.18 -48.58 12.93 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.607 0.717 . . . . 0.0 110.252 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.28 -17.09 63.31 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.86 1.664 . . . . 0.0 113.257 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -47.07 -34.64 6.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.148 2.179 . . . . 0.0 113.508 179.082 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -62.61 1.7 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -25.86 65.95 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -57.31 -54.87 41.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.432 1.093 . . . . 0.0 111.145 175.196 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.2 t70 47.89 32.58 2.83 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 125.475 1.51 . . . . 0.0 114.494 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -169.1 2.97 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.167 2.187 . . . . 0.0 112.233 -171.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.8 m -62.95 147.93 49.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.218 1.407 . . . . 0.0 111.218 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -49.72 -29.14 7.05 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.428 1.013 . . . . 0.0 113.723 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -25.26 6.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.893 1.677 . . . . 0.0 112.034 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -57.76 -59.48 5.16 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 110.198 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.78 -38.87 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.662 0.785 . . . . 0.0 111.358 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.73 -49.4 77.87 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.119 0.968 . . . . 0.0 111.859 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -74.22 -27.06 60.61 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.817 -1.087 . . . . 0.0 111.977 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -27.17 52.91 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.968 1.713 . . . . 0.0 111.529 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt -54.3 -33.66 59.26 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.99 0.916 . . . . 0.0 112.072 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -31.03 71.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.005 0.922 . . . . 0.0 113.473 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 tmmt? -90.67 -24.82 20.35 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.691 2.397 . . . . 0.0 112.092 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.4 mt -77.56 -66.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.958 1.303 . . . . 0.0 109.932 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -85.39 6.28 27.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.142 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 127.575 2.35 . . . . 0.0 113.505 -178.198 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 -38.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.363 1.065 . . . . 0.0 112.658 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -59.95 109.89 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.298 1.439 . . . . 0.0 112.305 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.97 177.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.219 1.807 . . . . 0.0 112.055 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.4 p -116.76 179.86 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.623 1.969 . . . . 0.0 110.749 174.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -49.41 -29.97 7.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.41 1.084 . . . . 0.0 113.552 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -52.7 -57.21 10.83 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.979 1.711 . . . . 0.0 112.621 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -43.42 98.91 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.217 1.007 . . . . 0.0 110.542 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.89 -49.9 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -53.87 -43.1 69.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.585 1.154 . . . . 0.0 111.979 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -65.14 -53.09 50.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.407 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -48.15 -49.52 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.917 1.687 . . . . 0.0 111.929 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.91 -35.46 61.67 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -74.76 -24.28 58.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 114.148 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -69.41 -49.71 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.517 1.527 . . . . 0.0 110.675 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -11.68 53.48 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -56.74 -25.35 54.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.223 1.409 . . . . 0.0 114.11 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.77 137.8 35.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.697 1.199 . . . . 0.0 112.524 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -102.2 7.28 40.89 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.799 1.64 . . . . 0.0 113.713 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -97.64 11.08 38.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.398 1.879 . . . . 0.0 113.286 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -92.63 -8.55 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.541 1.937 . . . . 0.0 113.173 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 p -45.42 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.325 2.25 . . . . 0.0 113.12 -174.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.84 133.82 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.933 0.893 . . . . 0.0 109.9 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.09 143.95 54.45 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.679 1.191 . . . . 0.0 112.59 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -36.31 81.34 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -59.9 -43.03 95.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.329 1.052 . . . . 0.0 111.494 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -84.53 -23.0 29.95 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.477 1.111 . . . . 0.0 112.647 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.07 -45.51 64.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.702 1.201 . . . . 0.0 112.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -50.27 -35.56 27.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.312 1.045 . . . . 0.0 113.213 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -86.25 -40.4 15.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.57 1.548 . . . . 0.0 111.714 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.69 61.31 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 112.607 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.6 -41.7 70.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.02 0.928 . . . . 0.0 110.998 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -66.87 -57.24 7.37 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.606 1.562 . . . . 0.0 112.166 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.81 -51.34 61.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.378 0.671 . . . . 0.0 111.092 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -60.8 -37.64 82.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.901 0.88 . . . . 0.0 113.17 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -33.69 66.48 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.587 1.085 . . . . 0.0 112.541 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.81 -39.42 43.86 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.466 -0.772 . . . . 0.0 111.049 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -17.15 5.02 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.19 -23.92 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.643 1.177 . . . . 0.0 112.423 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 -27.83 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.407 1.483 . . . . 0.0 113.751 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.7 p -108.42 -27.97 9.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.944 1.297 . . . . 0.0 111.79 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.67 145.29 40.0 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 124.559 1.076 . . . . 0.0 111.12 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -83.45 175.79 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.39 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -49.63 -46.56 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.657 1.583 . . . . 0.0 113.541 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.55 -24.76 67.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.892 0.877 . . . . 0.0 113.243 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -87.97 -50.4 6.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.582 1.553 . . . . 0.0 112.2 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.83 -50.19 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.846 1.657 . . . . 0.0 112.586 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.39 77.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.68 -42.11 82.95 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.236 -0.915 . . . . 0.0 111.653 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.02 -63.33 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.99 68.8 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -62.66 -54.12 44.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.631 1.572 . . . . 0.0 110.61 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.84 -52.46 41.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.037 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.99 -44.26 70.71 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.02 -50.68 72.39 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.174 -0.954 . . . . 0.0 112.937 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.73 -25.85 62.23 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.26 -25.77 64.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.587 1.555 . . . . 0.0 112.577 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -30.19 8.3 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.582 1.553 . . . . 0.0 113.43 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.21 77.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.137 0.875 . . . . 0.0 114.235 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -148.3 179.25 7.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.777 1.631 . . . . 0.0 112.218 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -41.71 51.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.767 1.227 . . . . 0.0 113.861 175.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -95.02 73.8 3.46 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.022 1.329 . . . . 0.0 111.245 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.8 166.86 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.638 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.84 149.13 41.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.91 -38.89 62.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.546 0.738 . . . . 0.0 112.278 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.67 97.1 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.077 0.846 . . . . 0.0 113.811 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -72.98 -45.16 59.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.374 1.087 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -49.04 -34.29 13.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.604 1.561 . . . . 0.0 112.577 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -50.03 -59.9 3.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.636 1.574 . . . . 0.0 113.102 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.21 -38.89 55.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.592 0.757 . . . . 0.0 112.192 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 tp -54.5 -46.31 73.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 123.322 0.649 . . . . 0.0 110.964 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -51.84 -39.86 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.853 1.261 . . . . 0.0 112.399 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -74.17 -48.35 29.78 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.495 1.118 . . . . 0.0 111.508 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.19 83.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.216 1.006 . . . . 0.0 113.38 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -49.99 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.876 2.07 . . . . 0.0 110.25 174.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -21.2 63.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.1 mt -92.19 -35.63 13.73 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.083 1.353 . . . . 0.0 113.671 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.6 tp -50.74 -58.71 5.25 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.409 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -18.16 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.679 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -72.27 -49.81 31.95 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.964 2.106 . . . . 0.0 112.766 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.41 -48.48 27.49 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.553 1.141 . . . . 0.0 111.998 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.82 -15.07 63.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.271 1.029 . . . . 0.0 112.508 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -33.8 1.83 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.874 2.07 . . . . 0.0 114.426 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -62.35 1.82 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.571 1.548 . . . . 0.0 111.979 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.91 65.89 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -59.02 -54.75 43.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.674 1.189 . . . . 0.0 110.796 175.029 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 48.94 35.78 7.28 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.961 1.305 . . . . 0.0 113.585 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -160.87 -169.76 2.5 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.417 1.887 . . . . 0.0 112.786 -172.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 m -60.19 147.66 39.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.066 1.347 . . . . 0.0 111.406 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -51.0 -30.23 14.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.228 1.011 . . . . 0.0 113.606 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -25.42 5.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.997 1.719 . . . . 0.0 112.539 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.69 -59.56 4.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.017 1.28 . . . . 0.0 110.162 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.0 mt -80.12 -36.89 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.561 0.745 . . . . 0.0 111.362 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.92 -49.77 76.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.775 0.83 . . . . 0.0 111.848 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -74.78 -23.34 58.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.561 -0.733 . . . . 0.0 112.349 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.429 ' OD1' ' HE3' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -57.78 -23.61 53.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.909 1.686 . . . . 0.0 112.404 175.093 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.9 mt -54.61 -42.49 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.802 -1.187 . . . . 0.0 112.794 174.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -20.08 65.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HE3' ' OD1' ' A' ' 105' ' ' ASP . 2.8 tmmt? -92.44 -16.39 25.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.97 2.108 . . . . 0.0 112.931 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.3 mt -98.41 -68.04 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 125.235 1.414 . . . . 0.0 109.926 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -74.59 -10.4 59.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.803 1.241 . . . . 0.0 112.894 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 126.304 1.842 . . . . 0.0 112.623 179.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -147.8 -35.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.284 1.034 . . . . 0.0 112.285 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -61.25 108.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 111.838 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.54 176.71 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.275 1.83 . . . . 0.0 112.178 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -117.5 179.48 4.04 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.261 2.224 . . . . 0.0 110.519 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -28.48 4.88 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.733 1.213 . . . . 0.0 113.764 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -52.29 -57.57 9.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.785 1.234 . . . . 0.0 113.026 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -42.31 98.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.012 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -55.35 -34.84 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.991 0.814 . . . . 0.0 111.179 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.72 -41.97 64.65 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.016 -1.677 . . . . 0.0 112.485 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -68.05 -52.61 33.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.77 0.828 . . . . 0.0 113.089 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.71 -39.47 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.557 1.143 . . . . 0.0 111.868 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -61.29 -34.92 76.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.785 0.72 . . . . 0.0 111.965 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 t -73.3 -33.29 65.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.707 1.203 . . . . 0.0 112.567 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.82 -51.53 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.348 1.059 . . . . 0.0 111.332 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.39 -11.27 58.66 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.12 -21.57 47.1 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.479 1.511 . . . . 0.0 114.375 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -86.5 121.76 29.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.723 1.209 . . . . 0.0 111.764 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -0.19 55.83 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.504 1.522 . . . . 0.0 113.518 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.14 6.32 19.63 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.027 1.731 . . . . 0.0 113.935 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -88.93 -8.18 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 127.022 2.129 . . . . 0.0 113.342 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.2 p -51.11 116.37 1.98 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.036 1.734 . . . . 0.0 113.257 -170.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.43 129.14 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.709 0.804 . . . . 0.0 109.793 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 135.4 53.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 111.828 175.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.4 m -51.68 -25.79 7.91 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.106 1.362 . . . . 0.0 114.521 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 m -68.02 -61.61 1.78 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.148 1.379 . . . . 0.0 111.367 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -70.74 -21.59 62.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 0.0 112.368 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -50.95 -42.46 59.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.705 1.202 . . . . 0.0 113.512 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -53.38 -32.72 50.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.005 0.922 . . . . 0.0 112.64 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -86.65 -42.68 13.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.21 1.804 . . . . 0.0 111.67 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.68 59.7 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.49 1.116 . . . . 0.0 112.376 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.83 -42.49 65.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.102 0.961 . . . . 0.0 111.194 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -65.32 -55.91 15.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.477 1.511 . . . . 0.0 112.652 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.35 -49.83 71.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.201 0.601 . . . . 0.0 110.97 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -62.12 -34.15 75.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -29.36 66.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.723 1.147 . . . . 0.0 112.072 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.24 -39.38 40.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.514 1.126 . . . . 0.0 111.012 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -16.73 4.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mm -77.08 -20.24 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.321 1.048 . . . . 0.0 112.7 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -116.73 -29.87 5.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.771 1.628 . . . . 0.0 114.112 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -116.27 -22.86 8.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.752 1.221 . . . . 0.0 113.026 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 133.59 23.01 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 124.34 0.972 . . . . 0.0 111.26 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -70.29 176.25 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.622 -0.789 . . . . 0.0 111.623 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.31 -51.93 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 127.307 2.243 . . . . 0.0 112.007 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.17 -30.88 66.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.009 0.924 . . . . 0.0 111.8 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -80.16 -48.35 13.3 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.32 1.048 . . . . 0.0 113.014 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -50.66 -50.6 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 121.356 1.889 . . . . 0.0 111.769 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.9 85.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.01 -38.0 78.23 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.373 -0.823 . . . . 0.0 111.584 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.14 -68.11 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.476 1.489 . . . . 0.0 110.655 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.14 62.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.4 -51.95 66.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.847 1.659 . . . . 0.0 110.464 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.77 -53.83 53.32 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.674 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.01 -42.33 62.92 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.183 0.901 . . . . 0.0 112.559 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.38 -48.74 78.42 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.039 -1.038 . . . . 0.0 112.669 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.78 -21.71 63.39 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.63 -47.64 79.26 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.528 1.058 . . . . 0.0 112.172 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.74 24.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.364 1.065 . . . . 0.0 112.915 175.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.62 15.16 68.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.895 1.236 . . . . 0.0 113.804 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.53 175.89 13.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.956 1.702 . . . . 0.0 111.596 -172.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.59 -26.95 61.89 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 114.41 175.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 67.73 4.34 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.482 1.913 . . . . 0.0 110.963 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.59 142.7 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.736 1.215 . . . . 0.0 111.228 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -60.45 155.93 17.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.347 0.659 . . . . 0.0 111.465 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.36 -47.18 56.22 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.395 0.998 . . . . 0.0 112.423 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.78 17.15 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.73 -0.483 . . . . 0.0 112.09 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -57.31 -36.47 71.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.464 1.132 . . . . 0.0 113.039 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -60.21 -28.26 67.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.191 1.396 . . . . 0.0 112.943 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.05 -55.27 26.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.192 1.397 . . . . 0.0 111.693 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -70.54 -38.13 74.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 119.278 -0.392 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tp -54.45 -54.11 45.18 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.598 0.759 . . . . 0.0 111.282 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.72 -36.41 57.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.93 1.292 . . . . 0.0 112.798 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -73.29 -50.59 21.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.052 0.541 . . . . 0.0 111.129 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.63 70.82 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.549 1.139 . . . . 0.0 113.527 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -51.02 71.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.934 2.093 . . . . 0.0 110.901 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -59.7 -23.31 63.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.533 1.133 . . . . 0.0 112.697 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.8 mt -92.35 -36.27 13.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.16 1.384 . . . . 0.0 113.009 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -51.39 -56.3 13.92 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.597 1.559 . . . . 0.0 110.485 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -19.17 20.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 120.184 -0.607 . . . . 0.0 112.578 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -61.82 -55.91 24.92 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.572 1.549 . . . . 0.0 112.283 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -66.22 -48.34 70.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.117 1.367 . . . . 0.0 111.831 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.3 -15.52 63.6 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.616 1.166 . . . . 0.0 113.932 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.477 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 32.6 t -51.39 -28.71 13.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.209 1.804 . . . . 0.0 113.199 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -69.92 0.13 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.221 1.408 . . . . 0.0 113.337 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.01 -20.18 63.28 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -54.06 -54.75 34.99 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.405 1.482 . . . . 0.0 111.437 175.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.2 t70 50.5 30.23 4.55 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.668 1.587 . . . . 0.0 114.619 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -156.16 -168.38 2.73 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.859 2.063 . . . . 0.0 112.742 -171.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -65.03 148.76 51.06 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.081 1.352 . . . . 0.0 111.152 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.88 -27.56 7.73 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -52.98 -23.74 7.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.503 1.521 . . . . 0.0 112.651 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.3 -59.42 5.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.725 1.148 . . . . 0.0 108.955 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.22 -41.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.746 1.218 . . . . 0.0 111.759 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.36 -46.25 86.64 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.665 0.786 . . . . 0.0 111.228 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 t -74.84 -29.97 61.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.189 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -24.65 11.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.664 1.575 . . . . 0.0 112.806 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.5 mt -55.97 -40.15 72.83 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.112 -0.992 . . . . 0.0 112.047 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -22.94 66.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.3 -18.15 23.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.176 2.59 . . . . 0.0 113.056 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.41 -67.67 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 125.295 1.438 . . . . 0.0 109.688 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.2 -12.12 59.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.638 1.175 . . . . 0.0 113.423 -174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 CA--C 1.549 0.926 0 C-N-CA 127.033 2.133 . . . . 0.0 112.911 -178.776 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 119.848 -0.12 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -160.87 -48.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.922 1.689 . . . . 0.0 111.212 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -62.1 110.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.349 1.46 . . . . 0.0 112.736 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -146.23 175.81 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.455 1.902 . . . . 0.0 111.775 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -113.45 -179.26 3.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.344 1.858 . . . . 0.0 110.375 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.54 -29.42 6.87 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.333 1.453 . . . . 0.0 113.474 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -51.53 -61.4 2.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.806 1.642 . . . . 0.0 113.849 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.01 83.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.417 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.18 -30.28 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 118.88 0.763 . . . . 0.0 111.36 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -50.4 15.28 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.123 -1.611 . . . . 0.0 111.719 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.85 -51.85 67.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.06 -40.8 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.031 0.832 . . . . 0.0 111.641 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.73 -28.99 70.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.783 0.72 . . . . 0.0 112.901 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 t -78.12 -30.97 49.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 0.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.0 -54.77 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.369 1.067 . . . . 0.0 111.005 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -56.32 -27.98 57.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.633 1.173 . . . . 0.0 114.093 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.81 140.59 42.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.577 1.151 . . . . 0.0 112.582 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 5.8 21.08 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.784 1.234 . . . . 0.0 113.853 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -97.18 3.84 51.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.74 2.016 . . . . 0.0 113.479 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -74.71 -7.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.681 1.592 . . . . 0.0 113.402 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -51.38 104.23 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.152 1.781 . . . . 0.0 112.706 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -75.57 138.71 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 110.615 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.8 148.4 29.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.891 1.277 . . . . 0.0 113.244 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -35.88 78.92 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.819 1.648 . . . . 0.0 114.088 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.7 m -61.1 -43.4 98.93 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.612 1.165 . . . . 0.0 111.432 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.0 m -83.06 -24.44 32.75 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.126 0.97 . . . . 0.0 112.33 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.25 -43.67 64.47 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.698 1.199 . . . . 0.0 112.95 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.55 -43.05 56.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -80.59 -38.51 29.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.618 1.167 . . . . 0.0 111.524 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -55.19 -34.92 64.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.784 1.234 . . . . 0.0 112.515 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.1 -42.62 66.13 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.601 0.76 . . . . 0.0 110.815 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -65.3 -59.67 3.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.745 1.618 . . . . 0.0 112.377 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.55 -50.74 62.31 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.137 0.426 . . . . 0.0 111.713 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -60.13 -37.73 80.95 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.8 0.84 . . . . 0.0 112.446 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -31.81 69.69 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.77 1.168 . . . . 0.0 112.438 175.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -78.73 -37.6 40.95 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.083 -1.011 . . . . 0.0 111.44 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -55.29 -18.09 5.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mm -73.84 -19.09 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.459 1.103 . . . . 0.0 112.456 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -121.67 -34.99 3.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.894 2.077 . . . . 0.0 111.858 -174.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -112.77 -28.25 7.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.266 1.426 . . . . 0.0 112.339 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.43 148.07 46.57 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 124.938 1.256 . . . . 0.0 111.721 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -84.53 175.0 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.149 1.38 . . . . 0.0 112.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 p -48.81 -51.41 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.396 1.479 . . . . 0.0 113.353 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -61.11 -25.67 67.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.883 0.873 . . . . 0.0 112.507 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.6 -48.91 9.72 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.417 1.087 . . . . 0.0 112.893 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mm -48.18 -49.67 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.522 1.51 . . . . 0.0 111.695 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.22 90.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.101 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.39 -33.34 75.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.452 -1.405 . . . . 0.0 112.591 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.06 -66.42 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 123.898 0.879 . . . . 0.0 109.999 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -35.18 65.25 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -58.24 -47.86 82.22 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.689 1.996 . . . . 0.0 111.048 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -56.25 17.68 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.246 0.618 . . . . 0.0 110.272 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.532 0.733 . . . . 0.0 112.804 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -50.54 70.33 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 175.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 mt -72.6 -30.53 64.44 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.52 -33.87 71.92 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.557 1.143 . . . . 0.0 111.882 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -32.01 15.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.895 1.278 . . . . 0.0 113.436 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 16.98 78.02 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.317 0.961 . . . . 0.0 114.214 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -151.15 176.03 11.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.347 1.859 . . . . 0.0 111.892 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -77.17 -39.87 47.43 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.77 1.628 . . . . 0.0 113.919 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.67 71.39 7.56 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.156 1.782 . . . . 0.0 111.269 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.34 154.92 4.15 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -59.44 155.67 14.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.111 0.965 . . . . 0.0 111.27 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.54 -42.37 64.33 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.23 -52.75 21.15 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.143 0.878 . . . . 0.0 113.437 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.57 -40.04 95.59 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.933 -1.333 . . . . 0.0 112.063 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -54.31 -28.67 43.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.059 0.944 . . . . 0.0 113.274 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -57.66 11.73 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.812 1.245 . . . . 0.0 112.126 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttm -76.29 -39.36 54.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.57 0.748 . . . . 0.0 111.888 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.83 -45.87 74.52 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.473 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -52.03 -39.22 59.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.135 . . . . 0.0 112.765 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -74.53 -48.64 25.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.317 0.647 . . . . 0.0 111.21 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.34 -31.43 69.18 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.182 -0.949 . . . . 0.0 112.734 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -63.26 -53.71 48.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.902 2.081 . . . . 0.0 111.374 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 p -61.24 -21.97 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.55 -34.46 14.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.794 2.038 . . . . 0.0 113.406 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.0 -58.65 6.25 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.176 1.39 . . . . 0.0 110.009 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -18.72 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.415 -0.803 . . . . 0.0 112.758 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -53.43 46.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.649 1.579 . . . . 0.0 112.551 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -70.31 -46.25 64.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.737 1.215 . . . . 0.0 111.564 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.8 -18.42 64.85 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.429 1.091 . . . . 0.0 113.593 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.9 t -44.13 -36.04 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 128.103 2.561 . . . . 0.0 113.338 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -64.92 0.68 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.143 1.377 . . . . 0.0 112.029 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.1 60.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.44 -45.08 46.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.59 1.156 . . . . 0.0 111.5 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 46.23 30.95 1.09 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.636 1.974 . . . . 0.0 113.984 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.41 -167.04 1.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.156 2.182 . . . . 0.0 111.468 -167.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 157.66 25.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.378 1.071 . . . . 0.0 111.152 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -54.67 -27.82 42.9 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.419 -0.801 . . . . 0.0 112.792 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -26.96 12.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.826 1.651 . . . . 0.0 111.982 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -59.78 4.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.464 1.483 . . . . 0.0 109.434 175.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.28 -40.58 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 O-C-N 121.697 -0.627 . . . . 0.0 112.046 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.72 -47.8 81.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.547 0.739 . . . . 0.0 111.718 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -74.77 -31.67 61.83 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.113 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -54.71 -23.56 18.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.597 1.544 . . . . 0.0 112.837 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.98 -35.68 67.02 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.854 0.862 . . . . 0.0 112.077 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -63.28 -23.86 67.61 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.863 0.865 . . . . 0.0 112.726 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -93.86 -17.41 23.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.039 2.136 . . . . 0.0 113.276 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.91 -67.99 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.807 1.643 . . . . 0.0 109.941 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -81.37 -10.82 59.46 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.565 1.146 . . . . 0.0 112.521 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.7 t30 . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 128.05 2.54 . . . . 0.0 113.601 178.435 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 119.646 -0.216 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.15 -30.6 0.38 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.816 1.246 . . . . 0.0 112.67 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.35 110.42 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.168 1.387 . . . . 0.0 112.05 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.19 174.25 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.655 1.982 . . . . 0.0 112.215 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.7 p -113.82 177.83 4.5 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.607 1.963 . . . . 0.0 110.719 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.22 -28.58 4.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.031 1.332 . . . . 0.0 113.863 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -55.49 -56.18 23.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.541 1.064 . . . . 0.0 112.895 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -42.75 86.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.7 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -55.37 -31.67 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 0.585 . . . . 0.0 110.754 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.01 -48.85 22.04 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.46 -1.4 . . . . 0.0 111.515 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.23 -52.85 63.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.433 1.093 . . . . 0.0 111.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.43 -45.2 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 0.0 111.222 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.02 -41.55 88.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.745 0.702 . . . . 0.0 109.89 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.21 -32.5 71.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.635 1.174 . . . . 0.0 113.555 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.48 -51.3 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.048 0.939 . . . . 0.0 110.773 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -16.91 57.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -54.6 -27.55 40.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.186 1.394 . . . . 0.0 114.113 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -76.53 139.21 40.66 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.805 1.242 . . . . 0.0 112.945 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 -14.33 18.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.817 1.247 . . . . 0.0 114.324 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -79.14 -2.34 40.3 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.13 1.372 . . . . 0.0 113.734 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.75 -15.47 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.462 1.505 . . . . 0.0 114.194 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 t -39.06 105.22 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.617 2.367 . . . . 0.0 113.605 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.04 137.24 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.458 1.503 . . . . 0.0 111.522 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.0 148.27 50.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.296 1.038 . . . . 0.0 112.608 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.36 -45.79 91.56 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.333 1.053 . . . . 0.0 113.559 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.9 m -58.34 -45.56 87.91 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.209 -0.932 . . . . 0.0 111.01 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -70.66 -32.16 69.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.16 1.384 . . . . 0.0 112.585 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -54.46 -48.65 71.51 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.98 1.312 . . . . 0.0 111.982 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -52.96 -30.23 33.57 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.029 0.932 . . . . 0.0 113.057 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.17 -50.91 7.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.483 1.913 . . . . 0.0 111.241 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.54 54.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.432 1.493 . . . . 0.0 112.908 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.75 -42.88 62.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.241 1.416 . . . . 0.0 111.552 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -64.85 -58.0 7.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.444 1.498 . . . . 0.0 112.295 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -56.98 -47.13 81.51 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.605 0.362 . . . . 0.0 111.185 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -57.16 -45.26 83.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 117.881 -1.056 . . . . 0.0 111.987 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.39 66.03 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.727 1.149 . . . . 0.0 112.386 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -37.0 30.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.363 1.465 . . . . 0.0 112.209 175.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.18 -18.32 25.02 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.686 -1.259 . . . . 0.0 112.981 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mm -70.29 -24.54 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.56 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -120.37 -23.58 6.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.762 1.225 . . . . 0.0 113.776 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 p -113.71 -28.46 7.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.735 1.214 . . . . 0.0 113.024 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.47 145.09 30.03 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 124.842 1.21 . . . . 0.0 110.452 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -83.2 179.87 7.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.097 -1.051 . . . . 0.0 112.922 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.58 -52.08 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.321 1.848 . . . . 0.0 113.449 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -59.58 -32.31 70.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.147 1.379 . . . . 0.0 112.352 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.1 -49.18 10.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.518 1.527 . . . . 0.0 111.657 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -49.43 -49.94 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.667 1.587 . . . . 0.0 111.172 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.064 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.1 -35.95 69.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.913 -1.117 . . . . 0.0 111.239 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.22 -61.49 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.611 1.164 . . . . 0.0 111.073 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -30.44 69.29 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -61.17 -56.15 24.02 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.646 1.578 . . . . 0.0 111.751 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.88 -45.8 82.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.11 0.413 . . . . 0.0 110.732 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.48 -45.91 76.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.262 1.025 . . . . 0.0 111.773 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.95 -49.85 73.11 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.1 -26.18 66.57 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.821 -0.549 . . . . 0.0 112.295 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.12 -37.52 74.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.889 1.276 . . . . 0.0 110.534 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.59 -31.47 18.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.221 0.609 . . . . 0.0 112.421 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.08 17.07 69.47 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.408 1.004 . . . . 0.0 114.517 -173.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.1 164.8 36.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 112.451 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -64.4 -37.7 88.44 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.844 1.658 . . . . 0.0 114.053 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 84.19 7.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.721 1.608 . . . . 0.0 110.279 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 155.86 30.35 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.78 149.13 50.65 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.756 0.822 . . . . 0.0 110.22 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -52.41 -42.03 63.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.915 0.779 . . . . 0.0 112.875 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.72 48.82 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.058 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -64.69 -41.18 96.23 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.211 -1.17 . . . . 0.0 111.498 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -54.52 -30.99 55.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.067 1.747 . . . . 0.0 112.766 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -56.26 24.24 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.153 1.381 . . . . 0.0 112.018 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -74.74 -35.99 62.62 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.591 0.357 . . . . 0.0 111.636 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -54.53 -48.64 71.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.338 0.655 . . . . 0.0 111.574 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -51.71 -38.03 53.41 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.42 1.088 . . . . 0.0 112.914 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -43.89 37.78 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.103 0.961 . . . . 0.0 112.184 176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.14 71.75 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.858 -1.151 . . . . 0.0 112.984 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -60.94 -51.3 69.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.267 2.227 . . . . 0.0 111.01 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 p -63.98 -20.25 65.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -91.78 -38.06 12.6 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.159 1.384 . . . . 0.0 112.745 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.1 tp -47.03 -61.05 2.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.006 1.323 . . . . 0.0 110.799 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -14.63 18.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -70.31 -42.27 72.2 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.364 1.866 . . . . 0.0 113.001 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.55 -48.77 11.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.718 0.771 . . . . 0.0 109.83 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.48 -14.18 38.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.2 1.8 . . . . 0.0 112.433 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 p -50.26 -28.76 8.24 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.561 1.944 . . . . 0.0 114.135 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -62.24 1.85 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.496 1.118 . . . . 0.0 111.655 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.64 -9.9 59.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 97' ' ' CYS . 7.7 ptmt -49.29 -39.81 32.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.481 1.112 . . . . 0.0 112.539 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 t70 45.38 24.55 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 129.208 3.003 . . . . 0.0 115.187 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.46 ' H ' ' HG3' ' A' ' 95' ' ' LYS . 1.3 t -166.0 -164.96 0.75 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.661 2.384 . . . . 0.0 111.551 -165.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.55 165.99 21.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.885 1.274 . . . . 0.0 112.037 175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.3 -30.54 62.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.593 -1.317 . . . . 0.0 111.976 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -24.64 7.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.855 1.662 . . . . 0.0 113.05 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -59.47 5.39 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.245 1.839 . . . . 0.0 109.611 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 mt -76.73 -41.29 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.549 0.74 . . . . 0.0 110.519 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.27 -50.95 71.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.275 1.03 . . . . 0.0 111.899 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -73.56 -32.5 64.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.096 -1.43 . . . . 0.0 112.888 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.63 -26.3 21.56 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.196 1.817 . . . . 0.0 112.085 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.7 mt -52.7 -36.56 57.53 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.292 0.637 . . . . 0.0 112.316 175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 112.552 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -35.7 67.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 112.136 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.2 mt -77.11 -62.7 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.263 1.025 . . . . 0.0 111.194 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.22 0.21 37.68 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.542 1.537 . . . . 0.0 113.459 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 128.074 2.55 . . . . 0.0 113.231 -177.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 119.872 -0.109 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.45 -50.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.71 1.604 . . . . 0.0 111.72 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tp -60.74 109.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.615 1.566 . . . . 0.0 112.617 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.94 176.54 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.674 1.99 . . . . 0.0 111.622 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.5 p -114.34 -177.61 3.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.279 2.232 . . . . 0.0 110.99 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -27.1 5.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.303 1.041 . . . . 0.0 113.799 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -50.98 -61.3 2.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.708 1.603 . . . . 0.0 112.979 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -41.05 96.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 117.55 -1.214 . . . . 0.0 109.965 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.25 -35.62 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 119.527 1.058 . . . . 0.0 111.681 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -74.88 -35.0 62.31 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 119.894 -1.754 . . . . 0.0 113.088 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.34 -51.28 25.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.539 1.135 . . . . 0.0 112.712 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.48 -44.09 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.256 1.422 . . . . 0.0 112.212 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.45 -35.67 68.15 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.964 0.802 . . . . 0.0 111.682 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -67.14 -28.82 68.44 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.361 1.464 . . . . 0.0 113.56 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.12 -48.78 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.524 1.13 . . . . 0.0 110.747 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -11.96 57.89 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -56.46 -26.75 54.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.966 1.307 . . . . 0.0 114.141 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.29 124.69 30.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 112.368 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -86.65 -8.08 57.77 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -80.56 6.94 11.11 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.119 1.368 . . . . 0.0 113.854 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.78 -12.06 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 126.84 2.056 . . . . 0.0 113.536 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 p -43.34 114.28 0.61 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.7 2.4 . . . . 0.0 113.977 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -78.59 132.8 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.035 0.934 . . . . 0.0 110.534 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.84 145.97 38.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.477 . . . . 0.0 112.84 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -61.15 -42.41 98.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.18 -46.19 90.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.576 1.15 . . . . 0.0 111.504 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.8 m -73.4 -25.09 60.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.028 1.731 . . . . 0.0 112.78 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.82 -45.12 95.19 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.532 1.533 . . . . 0.0 112.852 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -51.7 -31.03 24.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.656 0.782 . . . . 0.0 111.998 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -44.37 11.68 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.606 1.962 . . . . 0.0 112.379 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -32.49 64.96 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.188 0.995 . . . . 0.0 112.042 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.04 -41.44 62.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.274 1.03 . . . . 0.0 111.052 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -63.83 -61.3 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.42 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.34 -47.51 72.47 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.264 0.483 . . . . 0.0 111.461 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -61.76 -37.75 85.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.804 0.841 . . . . 0.0 113.132 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.6 mtt -58.06 -33.87 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.795 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.99 -38.9 61.52 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.384 -0.822 . . . . 0.0 111.207 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -18.34 9.4 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.8 mm -73.28 -18.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.173 0.989 . . . . 0.0 112.588 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -122.27 -34.65 3.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.669 1.988 . . . . 0.0 112.138 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 p -113.02 -26.21 8.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.166 1.386 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.34 144.43 39.12 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 124.894 1.235 . . . . 0.0 111.84 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.81 175.87 9.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.251 1.02 . . . . 0.0 112.922 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -51.75 -48.64 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.172 1.389 . . . . 0.0 112.095 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.64 -26.57 68.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.705 0.802 . . . . 0.0 112.05 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.3 -45.49 13.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.589 1.156 . . . . 0.0 112.678 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mm -51.98 -49.46 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.611 1.551 . . . . 0.0 111.127 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.18 -36.63 78.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.45 -42.09 83.65 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.422 -0.799 . . . . 0.0 111.574 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.01 -65.04 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.981 0.912 . . . . 0.0 110.953 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -34.2 65.35 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.8 -57.12 14.27 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.745 1.618 . . . . 0.0 109.614 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.45 -53.8 20.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.192 -0.433 . . . . 0.0 111.181 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.47 -44.75 62.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.102 0.961 . . . . 0.0 112.738 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.81 -50.63 72.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.175 0.898 . . . . 0.0 113.407 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mp -69.67 -19.77 63.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.72 -47.55 73.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.283 0.947 . . . . 0.0 112.393 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -85.88 -27.08 25.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.402 1.081 . . . . 0.0 111.822 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.66 15.75 80.51 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.72 1.152 . . . . 0.0 113.895 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.67 165.32 29.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.921 1.688 . . . . 0.0 111.168 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -66.49 -31.21 71.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.155 0.982 . . . . 0.0 113.417 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -85.74 81.61 8.53 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.512 1.525 . . . . 0.0 110.92 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.59 153.08 43.98 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.93 0.892 . . . . 0.0 112.517 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -66.36 152.88 44.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.692 0.397 . . . . 0.0 110.259 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.31 -39.3 60.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.61 0.764 . . . . 0.0 112.308 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 -52.61 52.03 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.243 -0.754 . . . . 0.0 113.075 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.73 -39.24 90.95 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.549 1.674 . . . . 0.0 112.205 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.33 -32.89 62.88 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.525 1.13 . . . . 0.0 112.866 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -52.98 -59.8 4.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.284 1.434 . . . . 0.0 112.651 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.39 -38.27 55.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.108 0.563 . . . . 0.0 111.982 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.93 -50.5 68.7 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 123.555 0.742 . . . . 0.0 111.354 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -50.45 -37.56 38.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.614 1.166 . . . . 0.0 112.639 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -71.14 -54.36 11.31 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.28 1.032 . . . . 0.0 110.881 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -34.0 71.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.405 1.082 . . . . 0.0 113.263 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -50.25 74.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.776 2.03 . . . . 0.0 110.958 175.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -22.07 64.85 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.708 0.803 . . . . 0.0 112.943 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -92.24 -35.71 13.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.324 1.85 . . . . 0.0 112.901 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -52.11 -57.27 10.09 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.717 1.607 . . . . 0.0 110.813 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -19.55 22.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -66.55 -49.06 67.7 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.157 1.783 . . . . 0.0 112.556 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.41 -46.78 37.99 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.988 1.315 . . . . 0.0 111.304 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.84 -16.12 63.95 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.759 1.223 . . . . 0.0 113.986 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.47 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 17.6 t -48.79 -32.14 8.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.376 2.271 . . . . 0.0 113.061 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -65.78 0.56 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.912 1.285 . . . . 0.0 112.516 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -22.63 62.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -54.37 -54.78 35.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.466 1.506 . . . . 0.0 111.47 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 48.24 31.75 2.78 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.973 1.709 . . . . 0.0 114.732 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 -168.93 2.95 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.211 2.205 . . . . 0.0 111.844 -171.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 p -62.08 147.92 45.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.072 1.749 . . . . 0.0 111.38 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.34 -28.15 7.45 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 119.709 1.14 . . . . 0.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.35 -23.87 6.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.142 1.777 . . . . 0.0 112.437 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -59.73 4.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 120.239 1.381 . . . . 0.0 109.103 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.84 -39.54 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.317 1.047 . . . . 0.0 111.23 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.47 -46.72 89.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.876 0.87 . . . . 0.0 111.71 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -74.78 -29.46 61.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.3 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -26.94 13.64 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.22 1.373 . . . . 0.0 112.77 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.7 mt -54.02 -38.56 65.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.418 1.087 . . . . 0.0 112.526 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -64.46 -24.43 67.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.482 1.113 . . . . 0.0 113.584 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -93.75 -15.59 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.552 2.341 . . . . 0.0 112.968 175.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.7 mt -95.43 -67.51 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 124.66 1.184 . . . . 0.0 111.069 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.86 -12.45 59.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.444 1.098 . . . . 0.0 112.87 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 CA--C 1.547 0.832 0 C-N-CA 127.788 2.435 . . . . 0.0 113.385 179.071 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -151.79 -32.82 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.364 1.066 . . . . 0.0 112.638 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tp -59.1 109.89 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.505 1.522 . . . . 0.0 112.838 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.88 177.63 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.681 1.992 . . . . 0.0 112.364 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.6 p -117.47 -179.87 3.85 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.337 1.855 . . . . 0.0 110.739 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -26.4 7.09 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.493 1.117 . . . . 0.0 113.764 175.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.71 -55.91 26.62 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.989 -1.069 . . . . 0.0 112.818 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -43.0 93.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 117.705 -1.14 . . . . 0.0 109.719 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.66 -44.36 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.183 0.901 . . . . 0.0 110.692 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -69.08 -32.43 71.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.745 -1.222 . . . . 0.0 113.68 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -73.46 -55.28 6.56 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.222 1.009 . . . . 0.0 112.577 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.43 -38.72 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.893 1.277 . . . . 0.0 111.639 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -79.99 -25.27 40.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.132 1.373 . . . . 0.0 112.813 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.39 -54.3 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.451 1.1 . . . . 0.0 110.698 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.67 -11.2 59.67 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.299 1.04 . . . . 0.0 113.686 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.36 126.18 30.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.996 1.319 . . . . 0.0 111.394 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.44 -2.59 56.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.56 12.34 1.66 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.996 1.719 . . . . 0.0 114.447 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -99.14 0.7 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.844 2.458 . . . . 0.0 113.716 -175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -45.4 104.27 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.656 1.983 . . . . 0.0 112.621 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.46 136.67 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.35 138.75 58.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.387 0.675 . . . . 0.0 111.19 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -60.58 -33.28 72.49 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -70.16 -44.28 69.14 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.436 -0.79 . . . . 0.0 110.699 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -73.94 -23.71 59.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.442 1.097 . . . . 0.0 113.077 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -52.61 -45.44 66.57 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.512 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.02 -31.56 51.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.56 -43.77 13.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.678 1.591 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -36.63 59.82 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.104 0.962 . . . . 0.0 112.515 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -51.58 -41.87 61.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.985 0.914 . . . . 0.0 111.253 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -62.51 -64.45 0.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.715 1.206 . . . . 0.0 112.33 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.13 -45.31 71.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.157 0.583 . . . . 0.0 111.464 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -59.56 -42.0 91.44 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.138 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.72 65.22 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.496 1.044 . . . . 0.0 112.165 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -81.39 -36.75 29.18 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.918 0.887 . . . . 0.0 112.114 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -22.85 14.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 174.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.55 -16.74 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.136 1.374 . . . . 0.0 112.76 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -29.15 4.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.825 1.25 . . . . 0.0 112.662 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -116.99 -26.5 6.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.675 1.19 . . . . 0.0 112.782 -173.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.94 143.05 37.39 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 125.549 1.547 . . . . 0.0 111.404 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.96 171.87 12.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 124.113 0.965 . . . . 0.0 112.603 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 p -48.97 -47.54 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -62.64 -35.82 80.84 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.52 1.128 . . . . 0.0 110.429 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.93 -48.18 39.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.942 1.297 . . . . 0.0 112.605 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.6 mm -50.42 -51.91 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 120.686 1.584 . . . . 0.0 112.522 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -45.26 79.25 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.01 -37.53 85.25 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.416 -0.803 . . . . 0.0 113.043 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.29 -60.45 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.913 -1.117 . . . . 0.0 111.386 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -31.66 71.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.74 -57.07 14.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.894 1.278 . . . . 0.0 109.686 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.22 -45.14 80.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.885 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.91 -39.31 68.65 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.628 1.171 . . . . 0.0 112.577 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -70.58 -50.24 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.057 0.844 . . . . 0.0 113.095 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -67.94 -20.96 65.12 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.263 -0.898 . . . . 0.0 113.001 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -47.13 80.96 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.095 1.758 . . . . 0.0 113.216 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -29.33 51.14 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 111.352 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.84 8.53 87.38 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.92 1.724 . . . . 0.0 114.074 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -156.66 168.98 25.76 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.589 1.556 . . . . 0.0 111.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -15.19 62.55 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.28 56.94 2.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 111.406 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.19 154.72 19.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.638 1.175 . . . . 0.0 112.557 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -83.04 164.68 20.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.059 0.944 . . . . 0.0 110.954 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -52.84 -40.1 63.07 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.193 0.997 . . . . 0.0 112.254 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.48 -52.61 51.53 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.534 1.064 . . . . 0.0 113.569 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -41.39 81.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.192 1.496 . . . . 0.0 111.832 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -38.15 61.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.219 1.007 . . . . 0.0 112.63 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -59.49 3.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.003 1.321 . . . . 0.0 112.961 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.8 ttm -76.47 -37.35 57.01 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.09 -51.42 61.91 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.739 0.816 . . . . 0.0 111.348 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -51.44 -35.88 41.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.916 1.286 . . . . 0.0 112.864 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -49.85 20.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.351 1.061 . . . . 0.0 111.635 175.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.27 73.45 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -51.7 68.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.55 2.34 . . . . 0.0 110.999 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -58.18 -25.06 61.09 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.54 1.136 . . . . 0.0 112.62 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.46 -38.08 12.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.557 1.143 . . . . 0.0 112.972 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.46 -57.41 5.38 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.07 1.348 . . . . 0.0 110.152 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -18.37 20.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -64.59 -43.02 95.15 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.868 1.667 . . . . 0.0 113.146 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -81.33 -48.97 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.01 0.909 . . . . 0.0 108.915 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.7 -19.98 62.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.115 1.766 . . . . 0.0 114.058 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -49.11 -26.34 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.359 2.263 . . . . 0.0 113.987 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -70.13 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.964 1.306 . . . . 0.0 111.545 175.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.81 -18.2 61.49 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -46.72 55.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.925 1.29 . . . . 0.0 111.546 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.0 t70 47.05 30.31 1.27 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.769 2.028 . . . . 0.0 114.262 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -159.73 -164.24 1.3 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.689 1.996 . . . . 0.0 112.391 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.75 163.19 26.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.583 1.153 . . . . 0.0 112.076 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -55.87 -27.75 53.29 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.811 -1.181 . . . . 0.0 113.07 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.56 -26.22 12.71 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.896 1.678 . . . . 0.0 112.731 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.12 -55.29 34.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.913 1.233 . . . . 0.0 110.939 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -81.3 -43.43 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.964 1.305 . . . . 0.0 112.031 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -58.17 -47.43 83.42 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.799 0.727 . . . . 0.0 111.583 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -74.79 -19.77 60.07 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.933 0.893 . . . . 0.0 112.672 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.75 -21.51 64.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 119.739 -1.85 . . . . 0.0 111.114 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.05 -40.56 81.24 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 120.905 -1.122 . . . . 0.0 112.979 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -20.75 66.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -89.72 -28.95 19.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.616 2.367 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.3 mt -79.78 -54.13 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 125.201 1.4 . . . . 0.0 110.517 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -94.42 1.02 55.82 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.653 1.581 . . . . 0.0 113.575 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 128.171 2.588 . . . . 0.0 114.148 -177.687 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.69 -33.34 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.003 1.321 . . . . 0.0 112.307 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 tp -59.21 109.11 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.772 1.229 . . . . 0.0 111.931 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -143.14 175.83 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 125.852 1.661 . . . . 0.0 111.658 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -118.59 178.17 4.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.054 1.742 . . . . 0.0 110.519 175.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.7 -30.75 14.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.054 1.341 . . . . 0.0 113.073 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.43 -59.7 3.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.015 1.726 . . . . 0.0 112.789 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.38 -34.33 78.05 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.275 1.03 . . . . 0.0 110.695 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.42 -50.88 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.163 0.892 . . . . 0.0 110.118 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -31.74 68.33 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.308 -0.87 . . . . 0.0 112.799 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.37 -55.79 5.35 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.311 1.045 . . . . 0.0 112.15 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.52 -37.9 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.436 1.017 . . . . 0.0 111.561 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -59.87 -30.05 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.017 0.527 . . . . 0.0 111.868 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -22.58 38.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 0.0 113.572 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.45 -47.94 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.601 1.16 . . . . 0.0 110.353 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -16.89 41.19 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -55.84 -26.52 47.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 0.0 113.912 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.2 125.97 30.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.813 1.245 . . . . 0.0 112.515 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.05 5.05 46.21 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.734 1.614 . . . . 0.0 114.007 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -97.23 18.57 14.74 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.387 1.875 . . . . 0.0 113.088 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -99.29 -7.48 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.008 1.723 . . . . 0.0 113.043 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 t -41.36 104.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.107 2.163 . . . . 0.0 111.863 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.62 141.22 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.574 1.15 . . . . 0.0 110.402 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.21 149.86 49.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.836 0.855 . . . . 0.0 111.86 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -41.44 90.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.413 1.085 . . . . 0.0 113.104 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -62.86 -44.12 96.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.445 1.098 . . . . 0.0 111.051 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -74.36 -28.26 61.04 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.226 1.01 . . . . 0.0 112.555 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -53.49 -52.1 60.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.877 1.271 . . . . 0.0 112.038 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.24 -28.82 43.86 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -79.85 -52.82 7.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.474 1.909 . . . . 0.0 111.252 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.28 56.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.388 1.475 . . . . 0.0 113.234 176.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -50.58 -40.55 52.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.799 1.24 . . . . 0.0 111.093 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -59.68 3.95 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.404 1.482 . . . . 0.0 113.042 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.64 -47.5 79.6 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 110.573 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -56.87 -43.37 81.15 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 117.877 -1.058 . . . . 0.0 111.97 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -30.58 67.76 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.577 1.08 . . . . 0.0 112.583 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.99 -41.55 28.76 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.764 1.226 . . . . 0.0 111.552 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.08 -17.13 6.2 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.047 -1.033 . . . . 0.0 113.265 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mm -70.51 -23.87 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.138 1.775 . . . . 0.0 112.745 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -120.24 -26.52 5.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.669 1.188 . . . . 0.0 113.399 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.28 -26.17 9.3 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.033 0.933 . . . . 0.0 112.731 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 150.21 43.61 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 124.305 0.955 . . . . 0.0 111.318 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 179.1 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.95 -1.125 . . . . 0.0 112.788 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.57 -51.75 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.731 1.212 . . . . 0.0 113.023 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -60.34 -34.04 73.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.05 1.34 . . . . 0.0 112.639 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -78.31 -50.98 10.81 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.225 1.01 . . . . 0.0 112.557 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.2 mm -48.83 -50.53 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.143 1.377 . . . . 0.0 112.17 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.16 84.27 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.577 177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.19 -38.15 76.17 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.38 -64.92 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.243 1.017 . . . . 0.0 110.294 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -32.85 65.68 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -61.31 -56.97 14.44 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.187 1.395 . . . . 0.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.91 -49.24 66.32 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.95 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mp -54.96 -41.98 71.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.678 0.791 . . . . 0.0 112.022 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.38 -50.37 70.15 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.474 -1.392 . . . . 0.0 113.915 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.92 -25.92 64.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.13 -37.07 68.96 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.333 1.453 . . . . 0.0 112.84 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -29.26 13.34 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.154 1.382 . . . . 0.0 112.555 177.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.7 74.09 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.899 1.238 . . . . 0.0 114.269 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.6 158.59 44.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.93 1.692 . . . . 0.0 110.857 -175.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -60.59 -38.84 85.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.531 1.133 . . . . 0.0 113.542 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -85.93 82.43 8.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.056 1.342 . . . . 0.0 110.75 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.65 159.41 22.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -65.36 153.63 40.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.081 -0.387 . . . . 0.0 110.31 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -53.55 -46.27 70.17 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.781 0.832 . . . . 0.0 112.244 177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.77 -39.67 97.78 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.695 0.664 . . . . 0.0 113.73 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.8 -49.62 29.38 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.39 1.076 . . . . 0.0 111.0 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -49.35 -33.65 13.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.047 1.739 . . . . 0.0 112.512 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -58.27 7.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.316 1.446 . . . . 0.0 112.62 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ttm -76.4 -39.16 54.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.669 0.788 . . . . 0.0 112.188 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -55.15 -46.73 75.72 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.942 0.897 . . . . 0.0 111.406 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -50.33 -38.35 41.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.915 1.286 . . . . 0.0 112.769 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -51.08 23.0 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.909 1.284 . . . . 0.0 111.473 175.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.27 -27.65 69.16 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -63.24 -55.51 24.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.131 2.172 . . . . 0.0 111.141 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -58.94 -21.56 58.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.558 1.143 . . . . 0.0 112.651 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.39 -39.35 11.49 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 125.331 1.452 . . . . 0.0 113.579 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 tp -48.79 -57.73 5.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.074 1.35 . . . . 0.0 109.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.13 20.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -63.46 -47.47 81.69 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.388 1.875 . . . . 0.0 112.002 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.76 -48.28 12.72 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.725 0.774 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.95 -19.37 62.68 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.361 1.464 . . . . 0.0 113.049 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.1 t -42.76 -38.35 2.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.238 2.615 . . . . 0.0 112.862 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -61.08 2.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.307 1.043 . . . . 0.0 111.843 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.97 -21.21 60.89 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -46.66 71.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.038 1.335 . . . . 0.0 111.301 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t0 44.85 36.92 2.05 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.817 2.047 . . . . 0.0 113.81 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -165.44 0.68 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.056 2.142 . . . . 0.0 112.078 -170.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -66.32 161.34 22.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.791 1.237 . . . . 0.0 112.038 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -55.27 -28.55 54.17 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.933 -1.105 . . . . 0.0 113.104 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -26.26 13.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 112.66 175.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -55.43 -55.22 34.19 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.824 1.193 . . . . 0.0 111.12 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -81.07 -43.54 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.81 1.244 . . . . 0.0 112.63 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.67 -47.19 82.99 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.595 -0.691 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 t -74.77 -21.99 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.503 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.59 -21.01 66.14 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.852 -1.78 . . . . 0.0 110.792 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.74 -44.2 77.34 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.474 -1.391 . . . . 0.0 112.767 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -29.59 70.49 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.91 -36.94 56.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.014 1.726 . . . . 0.0 111.512 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.48 -59.89 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.344 1.058 . . . . 0.0 110.684 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -83.21 6.49 19.26 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.755 1.222 . . . . 0.0 112.93 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.4 m120 . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 128.229 2.612 . . . . 0.0 113.302 -175.394 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -145.06 -31.99 0.4 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.379 1.472 . . . . 0.0 112.661 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 114.42 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.193 . . . . 0.0 112.017 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -147.6 178.02 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.832 2.053 . . . . 0.0 111.909 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -120.68 179.32 4.38 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.319 1.847 . . . . 0.0 110.377 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.23 -25.66 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.97 -58.8 6.37 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.781 1.232 . . . . 0.0 113.089 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -42.57 90.93 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.965 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.63 -34.39 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 118.997 0.817 . . . . 0.0 111.345 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -74.85 -42.97 56.94 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.181 -1.574 . . . . 0.0 112.694 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.66 -52.05 42.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.65 0.78 . . . . 0.0 112.137 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -54.55 -39.81 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.194 0.907 . . . . 0.0 111.871 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.15 -29.71 68.84 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.812 0.733 . . . . 0.0 112.75 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -77.4 -30.84 53.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.935 1.294 . . . . 0.0 112.416 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.97 -53.25 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.045 -1.034 . . . . 0.0 111.132 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.37 -9.84 59.68 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -56.5 -22.9 35.81 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -82.89 121.62 27.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.179 0.992 . . . . 0.0 112.07 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -90.55 14.09 14.12 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.59 6.07 31.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 0.0 113.459 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -78.44 -8.18 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 126.084 1.753 . . . . 0.0 113.941 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -48.39 115.63 1.29 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.555 1.942 . . . . 0.0 113.106 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.3 152.7 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.827 -0.546 . . . . 0.0 111.25 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.17 140.25 58.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.017 . . . . 0.0 111.471 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -57.74 -25.08 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -73.54 -60.28 2.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.269 1.027 . . . . 0.0 110.916 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -62.54 -24.6 67.6 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.204 1.001 . . . . 0.0 112.691 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -49.87 -44.26 49.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.7 1.2 . . . . 0.0 112.862 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.15 -32.29 66.23 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.15 -41.44 14.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.397 1.479 . . . . 0.0 111.928 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -54.07 -35.1 61.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.104 1.362 . . . . 0.0 111.989 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.81 -42.45 68.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.808 0.843 . . . . 0.0 110.261 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -65.12 -56.51 12.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.98 1.312 . . . . 0.0 113.308 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.54 -49.84 69.31 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.623 0.647 . . . . 0.0 111.421 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.42 -35.34 78.94 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.117 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.56 65.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.716 1.206 . . . . 0.0 112.412 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -76.44 -39.37 53.57 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.331 -0.855 . . . . 0.0 111.381 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -55.37 -20.75 12.83 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.84 -19.48 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.338 1.055 . . . . 0.0 112.913 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -120.42 -32.74 4.03 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.931 1.692 . . . . 0.0 112.01 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -111.87 -32.9 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.058 1.343 . . . . 0.0 112.255 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.1 145.46 46.39 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 125.813 1.673 . . . . 0.0 111.937 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -82.83 179.14 7.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.158 -1.021 . . . . 0.0 113.257 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 p -47.89 -50.76 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.316 1.447 . . . . 0.0 113.524 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -59.92 -30.0 68.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.041 1.336 . . . . 0.0 112.229 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.42 -45.18 12.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.606 1.562 . . . . 0.0 112.22 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.44 -51.18 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.464 1.506 . . . . 0.0 111.474 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.76 80.66 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.59 -36.72 79.25 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.35 -61.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 123.811 0.844 . . . . 0.0 111.009 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -32.83 65.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.58 -57.04 14.67 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 125.557 1.543 . . . . 0.0 109.872 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.38 -56.55 9.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.26 -0.4 . . . . 0.0 111.03 175.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.29 -40.07 58.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.173 0.989 . . . . 0.0 113.12 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.88 -50.46 62.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.86 -19.33 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -47.53 68.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.647 1.112 . . . . 0.0 112.125 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -85.79 -28.52 24.47 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.431 0.692 . . . . 0.0 111.574 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.05 17.79 78.82 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.85 1.214 . . . . 0.0 113.47 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.21 171.6 17.15 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.921 1.688 . . . . 0.0 111.516 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -26.42 64.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -94.33 79.18 3.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.347 1.459 . . . . 0.0 112.339 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -68.37 163.4 23.22 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.237 1.015 . . . . 0.0 112.609 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.7 m -63.96 152.7 39.3 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.899 -0.501 . . . . 0.0 111.334 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -51.46 -43.53 62.13 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.927 0.891 . . . . 0.0 111.977 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 -52.54 46.26 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.46 1.029 . . . . 0.0 113.038 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -55.07 -43.34 73.79 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.705 1.252 . . . . 0.0 111.889 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -56.03 -29.4 60.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.344 1.058 . . . . 0.0 113.31 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -55.32 35.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.871 1.268 . . . . 0.0 111.638 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttm -76.16 -39.79 54.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.574 0.749 . . . . 0.0 111.898 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.14 -48.14 76.84 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.458 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.21 -41.14 26.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.534 1.133 . . . . 0.0 112.842 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -73.61 -51.42 16.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.376 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.52 67.25 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.919 0.887 . . . . 0.0 113.262 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -53.82 41.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.05 2.14 . . . . 0.0 110.643 174.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -60.25 -20.73 60.19 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.36 1.064 . . . . 0.0 112.698 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.43 -40.14 11.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.49 1.516 . . . . 0.0 112.447 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 tp -47.46 -59.78 2.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.121 1.368 . . . . 0.0 110.616 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -18.23 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -65.34 -43.52 90.66 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.163 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.5 -48.99 11.98 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.815 0.817 . . . . 0.0 109.556 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.15 -19.02 64.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.822 1.649 . . . . 0.0 113.3 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.61 -38.13 1.91 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.312 2.645 . . . . 0.0 113.161 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -59.52 4.62 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.757 1.223 . . . . 0.0 112.459 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.99 -21.94 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -45.53 54.61 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.909 1.284 . . . . 0.0 111.108 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 48.05 28.64 1.52 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.991 2.116 . . . . 0.0 114.128 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.03 -163.74 1.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.279 2.231 . . . . 0.0 111.835 -170.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 m -66.84 161.74 23.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.863 1.265 . . . . 0.0 111.902 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -55.52 -28.3 53.9 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 121.099 -1.0 . . . . 0.0 113.245 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -27.37 13.23 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.965 1.706 . . . . 0.0 112.864 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.54 -52.23 65.55 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.813 1.188 . . . . 0.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.28 -47.17 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.548 1.139 . . . . 0.0 112.26 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.34 -45.81 80.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.674 0.79 . . . . 0.0 111.444 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -74.61 -32.5 62.34 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.04 -23.77 62.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.951 1.25 . . . . 0.0 111.923 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.56 -31.88 64.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.099 0.863 . . . . 0.0 111.697 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -60.18 -29.38 68.65 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -92.41 -23.7 19.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.595 1.958 . . . . 0.0 112.624 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.04 -43.24 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.041 1.336 . . . . 0.0 111.936 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -108.7 5.64 25.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.709 1.204 . . . . 0.0 113.235 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 127.17 2.188 . . . . 0.0 113.381 -178.068 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -137.63 -36.75 0.62 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.729 1.612 . . . . 0.0 112.395 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.05 114.14 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.463 1.105 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.69 175.85 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.346 1.858 . . . . 0.0 112.067 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -112.58 179.32 4.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.13 1.772 . . . . 0.0 110.67 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.06 -24.97 11.14 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.49 -56.2 24.26 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.274 1.029 . . . . 0.0 112.947 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -42.83 89.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.07 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -54.7 -49.32 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.969 0.804 . . . . 0.0 110.037 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -65.69 -29.63 70.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.082 -1.011 . . . . 0.0 113.113 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.68 -55.96 5.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 112.771 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.08 -39.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.068 1.347 . . . . 0.0 111.032 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -58.82 -32.36 69.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.241 0.616 . . . . 0.0 112.091 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -24.15 46.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.822 1.249 . . . . 0.0 113.638 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.03 -53.86 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.768 1.227 . . . . 0.0 110.387 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -9.54 59.78 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -58.94 -29.96 67.51 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.03 134.04 40.21 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.53 1.132 . . . . 0.0 110.926 175.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -90.67 -2.62 57.83 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -83.39 18.38 1.83 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.94 1.696 . . . . 0.0 114.376 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -103.37 7.18 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.096 2.559 . . . . 0.0 113.163 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 p -49.83 127.18 15.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.292 1.437 . . . . 0.0 112.856 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.44 127.97 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.58 1.152 . . . . 0.0 109.79 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.4 140.84 58.91 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.352 1.061 . . . . 0.0 112.513 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -33.22 75.19 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.2 m -64.22 -42.94 96.37 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.225 -0.922 . . . . 0.0 111.393 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -82.5 -20.36 36.91 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.802 1.241 . . . . 0.0 112.493 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -44.59 68.39 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 0.0 112.673 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -52.63 -34.36 50.96 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -86.63 -40.82 14.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.082 1.353 . . . . 0.0 111.341 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -55.19 -33.92 63.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.784 1.634 . . . . 0.0 112.515 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.42 -40.74 68.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.615 0.766 . . . . 0.0 110.676 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -66.93 -55.93 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.435 1.494 . . . . 0.0 113.077 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.56 -52.65 61.41 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.645 0.657 . . . . 0.0 110.773 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -59.84 -36.0 75.91 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.078 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -31.58 62.94 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.18 1.355 . . . . 0.0 112.908 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.96 -38.62 36.56 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.314 -0.866 . . . . 0.0 111.311 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -19.51 17.62 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mm -73.15 -17.32 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.694 1.198 . . . . 0.0 113.123 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -122.64 -31.89 3.66 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.907 1.683 . . . . 0.0 112.045 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 p -116.89 -28.48 6.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.359 1.464 . . . . 0.0 112.257 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.19 140.42 37.59 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 125.006 1.289 . . . . 0.0 111.265 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.15 174.86 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.259 -0.97 . . . . 0.0 112.455 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -47.07 -51.32 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.008 1.723 . . . . 0.0 113.082 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.08 -33.92 69.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.836 1.255 . . . . 0.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.66 -46.23 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.399 1.08 . . . . 0.0 113.507 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.9 mm -50.83 -50.58 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.714 1.597 . . . . 0.0 111.653 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.6 89.77 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.36 -35.43 80.37 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.787 -1.196 . . . . 0.0 113.399 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.3 t -59.57 -66.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.807 0.843 . . . . 0.0 110.277 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -32.86 67.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -57.23 -57.32 13.12 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.956 1.702 . . . . 0.0 110.292 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.06 -45.84 79.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.904 -0.569 . . . . 0.0 109.788 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.88 -37.86 77.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.475 1.11 . . . . 0.0 113.618 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.09 -50.69 53.38 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.899 0.772 . . . . 0.0 113.081 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -70.24 -23.51 62.92 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.506 -0.746 . . . . 0.0 112.673 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.35 -35.92 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.834 1.254 . . . . 0.0 111.321 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -93.54 -32.15 14.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.058 0.543 . . . . 0.0 112.189 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.0 11.42 66.69 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.212 0.91 . . . . 0.0 114.339 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -130.62 157.34 43.0 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.141 1.776 . . . . 0.0 111.42 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.94 -38.65 91.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.118 1.367 . . . . 0.0 112.992 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 86.34 5.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.859 1.664 . . . . 0.0 109.898 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.28 159.52 26.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.681 0.792 . . . . 0.0 112.227 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -65.58 152.85 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.711 0.804 . . . . 0.0 110.504 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -50.15 -43.99 52.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.086 0.954 . . . . 0.0 112.472 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.05 80.72 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.571 1.082 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.63 -45.02 66.0 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.814 1.307 . . . . 0.0 111.535 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -50.24 -36.73 32.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.424 1.489 . . . . 0.0 112.885 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -50.48 -59.18 4.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.21 1.804 . . . . 0.0 113.368 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 ttm -76.28 -33.59 59.11 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.913 0.779 . . . . 0.0 111.882 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -54.0 -49.19 69.4 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.53 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -52.68 -39.37 61.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.56 1.144 . . . . 0.0 111.947 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -51.95 35.13 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.408 1.083 . . . . 0.0 111.364 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.79 68.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -64.68 -53.41 47.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.12 2.168 . . . . 0.0 111.348 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -22.46 56.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.921 0.889 . . . . 0.0 112.56 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.39 -39.41 11.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.225 1.41 . . . . 0.0 113.129 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.46 -57.56 5.93 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.503 1.521 . . . . 0.0 110.364 176.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 118.655 -0.688 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -45.63 85.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.415 1.486 . . . . 0.0 112.712 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.85 -48.83 10.33 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.117 0.961 . . . . 0.0 109.815 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.73 -22.29 63.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.809 2.044 . . . . 0.0 113.608 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -28.08 2.45 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.225 2.61 . . . . 0.0 113.868 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -67.52 0.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.819 1.247 . . . . 0.0 111.218 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.12 -19.77 61.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -46.62 53.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.092 1.357 . . . . 0.0 111.962 175.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.6 t70 47.35 27.95 0.99 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 126.611 1.964 . . . . 0.0 114.655 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.38 -167.31 2.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.327 2.251 . . . . 0.0 111.715 -169.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.38 158.79 25.67 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.858 -1.151 . . . . 0.0 111.651 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -54.66 -28.05 44.48 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.286 -0.884 . . . . 0.0 112.854 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.26 -26.54 12.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.043 1.737 . . . . 0.0 112.217 174.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -59.78 4.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.405 1.457 . . . . 0.0 109.603 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.5 mt -79.51 -42.99 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.479 1.112 . . . . 0.0 111.619 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.84 -49.33 71.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.021 0.929 . . . . 0.0 111.441 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -74.87 -28.18 60.55 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -25.75 48.81 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.765 1.62 . . . . 0.0 112.71 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.6 mt -54.42 -34.53 61.52 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.669 0.788 . . . . 0.0 112.181 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -63.0 -32.21 73.51 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.896 0.878 . . . . 0.0 113.122 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.83 -25.17 24.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.88 2.072 . . . . 0.0 113.086 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.3 mt -76.48 -67.03 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.486 1.115 . . . . 0.0 109.975 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.99 2.68 37.81 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.896 1.679 . . . . 0.0 113.224 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 CA--C 1.55 0.981 0 C-N-CA 127.401 2.28 . . . . 0.0 113.005 -177.824 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.709 0.29 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -162.57 -42.64 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.258 1.423 . . . . 0.0 110.828 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -43.63 106.34 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.349 1.86 . . . . 0.0 115.391 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.04 176.4 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.606 1.962 . . . . 0.0 113.519 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -122.13 177.56 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.189 2.195 . . . . 0.0 111.748 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -27.27 9.44 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.621 1.168 . . . . 0.0 113.749 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.18 -57.89 10.89 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.446 1.021 . . . . 0.0 112.99 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -38.2 68.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.962 0.905 . . . . 0.0 110.8 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.79 -42.02 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -36.25 83.3 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.107 -0.995 . . . . 0.0 112.941 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.79 -53.95 23.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.748 1.219 . . . . 0.0 112.452 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.67 -38.74 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.041 1.291 . . . . 0.0 111.594 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.91 -28.28 69.41 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -77.54 -30.61 52.86 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.084 1.353 . . . . 0.0 112.598 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -52.57 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -11.09 59.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -56.03 -27.83 54.82 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.848 1.259 . . . . 0.0 114.382 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.8 145.35 42.98 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.318 1.047 . . . . 0.0 112.98 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -112.31 -3.53 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.167 1.387 . . . . 0.0 113.994 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.88 6.22 49.12 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.403 1.881 . . . . 0.0 112.838 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.17 -12.43 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.584 1.953 . . . . 0.0 113.837 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.5 p -46.88 104.24 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.657 2.383 . . . . 0.0 113.225 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.53 156.96 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.493 0.663 . . . . 0.0 112.548 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.94 148.47 47.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.658 1.183 . . . . 0.0 112.657 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 p -68.2 -35.37 77.88 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -66.7 -47.54 72.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.062 0.945 . . . . 0.0 110.486 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.7 m -68.89 -26.28 65.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.803 1.241 . . . . 0.0 113.079 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -52.82 -42.87 65.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.239 1.016 . . . . 0.0 112.705 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.64 -40.43 62.78 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.176 0.99 . . . . 0.0 113.066 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -82.61 -38.14 23.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.878 1.271 . . . . 0.0 111.646 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -55.77 -35.36 66.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.996 1.318 . . . . 0.0 112.148 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.37 -44.64 68.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.737 0.815 . . . . 0.0 110.613 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -60.68 -61.26 2.72 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.057 1.343 . . . . 0.0 112.3 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.67 -50.32 66.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.714 0.688 . . . . 0.0 111.383 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -59.88 -36.02 76.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.377 -0.82 . . . . 0.0 112.93 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -30.14 67.15 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.881 1.219 . . . . 0.0 112.588 174.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.82 -36.5 31.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.15 0.98 . . . . 0.0 111.665 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -18.08 23.26 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 175.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mm -69.86 -26.02 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.465 1.106 . . . . 0.0 112.922 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.07 -24.44 5.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.885 1.274 . . . . 0.0 113.659 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -110.61 -26.15 9.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.236 1.415 . . . . 0.0 112.682 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.83 156.55 47.83 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 124.514 1.054 . . . . 0.0 111.534 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.75 175.67 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.346 -0.927 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 p -52.01 -44.33 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.703 1.601 . . . . 0.0 111.45 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -62.54 -40.16 95.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.453 1.501 . . . . 0.0 110.971 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -72.49 -46.67 53.72 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.5 mm -48.48 -48.54 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.327 1.421 . . . . 0.0 111.358 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.49 85.57 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.45 -34.87 74.62 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.0 -62.98 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 124.441 1.096 . . . . 0.0 110.473 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -32.98 69.7 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -59.9 -55.75 30.28 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.279 1.432 . . . . 0.0 110.169 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.12 62.22 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.079 0.237 . . . . 0.0 110.692 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.3 -43.86 61.77 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.965 1.306 . . . . 0.0 112.822 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.27 -50.57 65.24 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.5 -25.26 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.289 -0.882 . . . . 0.0 112.375 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.55 -33.9 70.42 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.248 1.419 . . . . 0.0 111.935 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -32.32 15.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.982 0.913 . . . . 0.0 112.628 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.89 18.27 79.56 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.236 0.922 . . . . 0.0 114.585 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.93 177.51 10.07 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.779 1.631 . . . . 0.0 112.499 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -34.13 58.5 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.59 78.57 2.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.568 1.947 . . . . 0.0 110.94 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.53 158.58 14.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 112.692 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.2 t -63.0 152.32 37.21 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.071 0.948 . . . . 0.0 110.708 175.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.8 -39.48 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.719 0.808 . . . . 0.0 112.219 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.86 -52.05 54.49 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.389 0.995 . . . . 0.0 113.748 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -70.43 -41.79 72.43 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.595 1.158 . . . . 0.0 111.986 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -33.6 34.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.018 1.727 . . . . 0.0 112.665 178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -52.75 -59.78 4.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.786 1.634 . . . . 0.0 113.038 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.22 -36.8 58.41 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.184 0.594 . . . . 0.0 112.328 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.12 -48.75 70.44 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.796 0.838 . . . . 0.0 111.688 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 -38.51 56.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.64 1.176 . . . . 0.0 112.569 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -70.16 -53.64 16.33 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.393 1.077 . . . . 0.0 110.91 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.23 69.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.15 -55.14 23.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.159 2.184 . . . . 0.0 110.144 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -60.43 -22.76 63.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.287 1.035 . . . . 0.0 112.817 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 mt -92.46 -32.35 14.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.094 1.758 . . . . 0.0 114.639 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.71 -61.25 2.43 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.133 1.373 . . . . 0.0 109.015 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -22.0 28.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-O 118.232 -0.89 . . . . 0.0 112.737 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -53.99 -55.25 28.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.322 1.449 . . . . 0.0 111.223 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.61 -39.9 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.72 -19.5 63.98 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -44.54 -35.52 2.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 128.191 2.596 . . . . 0.0 113.222 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -70.41 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.636 1.574 . . . . 0.0 112.498 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.74 -19.59 62.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -45.16 48.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.69 1.196 . . . . 0.0 111.58 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 47.19 28.52 1.0 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.691 1.996 . . . . 0.0 114.386 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.81 -166.6 1.91 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.498 2.319 . . . . 0.0 111.676 -169.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -67.31 156.61 36.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.6 1.16 . . . . 0.0 111.467 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -53.86 -28.27 35.09 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.147 -0.97 . . . . 0.0 113.02 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -26.13 5.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.76 2.024 . . . . 0.0 112.75 174.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -59.87 4.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.679 1.127 . . . . 0.0 109.11 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.2 -43.07 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.505 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -56.03 -49.94 72.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.794 0.838 . . . . 0.0 111.297 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -74.83 -28.43 60.69 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.65 -25.79 29.1 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.738 1.608 . . . . 0.0 112.284 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.84 -32.4 52.78 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.623 0.769 . . . . 0.0 111.746 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -66.06 -30.19 70.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.018 0.927 . . . . 0.0 113.159 174.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -90.09 -19.98 23.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.011 2.124 . . . . 0.0 113.308 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.87 -63.2 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.15 1.38 . . . . 0.0 109.626 174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.3 2.69 39.01 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.552 1.541 . . . . 0.0 113.398 -176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 . . . . . 0 CA--C 1.547 0.856 0 C-N-CA 128.169 2.588 . . . . 0.0 113.947 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.36 -33.97 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.347 1.459 . . . . 0.0 112.494 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -59.24 111.13 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.767 1.227 . . . . 0.0 111.826 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -139.58 175.29 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.852 1.661 . . . . 0.0 112.69 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -115.2 175.71 5.39 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.991 2.116 . . . . 0.0 110.857 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.18 -27.12 8.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.527 1.131 . . . . 0.0 113.936 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.02 -55.24 35.2 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.746 1.157 . . . . 0.0 113.171 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -42.62 80.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.128 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.21 -42.1 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 118.371 0.532 . . . . 0.0 110.164 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -31.06 68.0 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.476 -1.39 . . . . 0.0 112.709 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -76.82 -54.5 6.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.372 1.469 . . . . 0.0 113.035 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.66 -37.67 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.337 1.055 . . . . 0.0 111.6 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -30.56 69.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.262 0.625 . . . . 0.0 112.28 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -78.5 -29.75 46.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.216 1.406 . . . . 0.0 112.417 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.4 -53.12 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.302 1.041 . . . . 0.0 111.098 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -9.77 59.78 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.94 53.84 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -75.19 141.4 43.62 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.956 0.902 . . . . 0.0 112.877 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 -7.33 15.02 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -86.14 6.41 29.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.746 1.618 . . . . 0.0 113.252 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 pp -73.02 -12.46 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.174 1.79 . . . . 0.0 113.667 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -48.05 104.16 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.885 2.074 . . . . 0.0 113.292 -171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.02 149.83 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.342 0.657 . . . . 0.0 112.079 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.39 151.84 46.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.037 0.935 . . . . 0.0 111.857 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.6 p -62.19 -46.64 88.04 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.8 m -60.71 -38.66 85.81 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.189 -0.945 . . . . 0.0 111.763 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -76.66 -28.25 55.9 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.896 0.879 . . . . 0.0 111.937 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -57.0 -47.52 80.65 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.961 1.304 . . . . 0.0 112.77 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -51.22 -32.21 23.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.816 0.847 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -86.89 -44.47 11.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.706 1.602 . . . . 0.0 111.88 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -53.49 -33.44 54.33 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.02 1.728 . . . . 0.0 112.712 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.01 -41.19 64.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.913 0.885 . . . . 0.0 111.065 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -67.56 -56.22 10.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.881 1.672 . . . . 0.0 112.478 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.2 -51.18 67.38 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.368 0.531 . . . . 0.0 111.565 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -61.57 -34.21 75.2 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.938 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -33.69 67.52 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.707 1.14 . . . . 0.0 112.236 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -78.68 -37.25 42.23 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.236 -0.915 . . . . 0.0 111.521 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -54.05 -23.65 14.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.47 -21.61 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.86 1.264 . . . . 0.0 112.506 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -119.99 -31.98 4.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.334 1.854 . . . . 0.0 112.348 -173.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.5 p -116.09 -26.55 7.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.142 1.377 . . . . 0.0 112.622 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.9 152.49 47.38 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 124.797 1.189 . . . . 0.0 111.487 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.3 178.43 6.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.982 -1.109 . . . . 0.0 112.594 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -47.76 -52.07 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.295 1.438 . . . . 0.0 113.31 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.26 -30.05 68.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.291 1.437 . . . . 0.0 111.941 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -84.74 -46.4 11.46 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.484 1.114 . . . . 0.0 113.297 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.4 mm -50.01 -49.43 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 120.167 1.348 . . . . 0.0 110.77 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.54 93.11 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.72 -30.48 71.5 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.484 -1.385 . . . . 0.0 114.257 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.8 t -65.78 -63.73 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.324 1.05 . . . . 0.0 110.111 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -30.59 66.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.136 0.575 . . . . 0.0 112.548 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.36 -55.97 28.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.193 1.797 . . . . 0.0 111.573 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -53.03 58.41 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.6 0.562 . . . . 0.0 110.234 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -52.76 -44.79 66.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.086 1.354 . . . . 0.0 113.441 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -50.74 71.28 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.222 1.009 . . . . 0.0 113.355 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -71.43 -28.8 64.24 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.658 -0.651 . . . . 0.0 112.713 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.41 -37.15 77.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.468 1.107 . . . . 0.0 111.256 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.23 -32.3 58.83 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.465 0.706 . . . . 0.0 112.234 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.71 11.61 69.32 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.513 1.054 . . . . 0.0 114.462 -173.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.73 176.37 12.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.849 1.659 . . . . 0.0 111.541 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -31.26 60.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.345 1.458 . . . . 0.0 114.223 177.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.12 84.5 6.91 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.834 1.254 . . . . 0.0 111.375 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 150.25 29.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -63.8 159.9 18.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.931 0.492 . . . . 0.0 110.965 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.91 -45.35 67.54 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.771 0.714 . . . . 0.0 112.106 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.77 -52.67 18.9 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 119.375 -0.681 . . . . 0.0 112.234 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.725 1.263 . . . . 0.0 112.673 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.17 -30.29 64.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.161 0.985 . . . . 0.0 112.423 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -51.58 69.12 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.646 1.178 . . . . 0.0 111.972 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -76.44 -41.47 47.37 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.47 -46.65 76.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.549 0.74 . . . . 0.0 111.851 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -50.63 -40.16 52.35 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.752 1.221 . . . . 0.0 112.866 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.75 -49.6 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.117 0.967 . . . . 0.0 111.067 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.77 -29.44 69.42 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -63.89 -55.07 25.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.015 2.126 . . . . 0.0 110.903 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -59.78 -20.33 56.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.29 1.036 . . . . 0.0 112.634 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.38 -40.68 10.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.429 1.491 . . . . 0.0 112.944 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -48.46 -56.81 7.25 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.032 1.333 . . . . 0.0 110.973 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -15.69 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -69.38 -42.43 75.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.204 1.802 . . . . 0.0 112.467 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.3 -49.1 11.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.697 0.76 . . . . 0.0 109.731 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.73 -19.25 63.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.021 1.728 . . . . 0.0 113.704 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -34.39 1.8 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 128.127 2.571 . . . . 0.0 113.743 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -68.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.556 1.542 . . . . 0.0 112.478 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.66 -19.63 62.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -45.3 62.39 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.771 1.228 . . . . 0.0 111.671 174.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t0 42.12 37.37 0.85 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 127.068 2.147 . . . . 0.0 113.675 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.03 -167.29 1.04 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.891 2.076 . . . . 0.0 111.815 -170.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 m -66.21 158.14 29.6 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.841 1.256 . . . . 0.0 111.524 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -55.3 -27.71 48.66 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.277 -0.889 . . . . 0.0 113.072 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.62 -25.48 10.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.811 1.644 . . . . 0.0 112.819 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -59.62 4.46 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.178 1.353 . . . . 0.0 108.976 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.38 -40.34 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.193 0.997 . . . . 0.0 111.784 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.88 -47.05 81.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.434 0.694 . . . . 0.0 111.405 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 m -74.69 -29.34 61.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.782 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -22.24 23.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.085 1.766 . . . . 0.0 112.922 175.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -57.02 -37.98 72.49 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.796 -1.19 . . . . 0.0 111.767 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -24.95 66.77 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.638 0.654 . . . . 0.0 112.201 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.5 -26.65 26.12 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.677 1.591 . . . . 0.0 113.077 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.2 mt -86.04 -67.7 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.135 1.374 . . . . 0.0 109.97 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -78.79 -9.26 59.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.0 1.32 . . . . 0.0 113.09 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t30 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 127.648 2.379 . . . . 0.0 114.036 177.088 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -35.33 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.471 1.508 . . . . 0.0 112.051 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.1 116.92 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.565 1.146 . . . . 0.0 112.049 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.98 168.52 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.125 1.77 . . . . 0.0 112.086 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 p -110.75 176.5 5.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.332 1.853 . . . . 0.0 111.427 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.48 -32.17 26.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.011 0.924 . . . . 0.0 112.961 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.6 -55.83 19.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.074 0.95 . . . . 0.0 112.59 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.16 -36.86 85.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.725 0.81 . . . . 0.0 111.512 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.45 -49.34 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.089 0.955 . . . . 0.0 110.272 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.57 75.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.591 -0.693 . . . . 0.0 112.303 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.47 -55.65 9.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.687 1.195 . . . . 0.0 112.002 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -56.53 -42.44 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 119.019 0.827 . . . . 0.0 111.532 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -54.57 -36.94 64.9 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.057 0.844 . . . . 0.0 112.082 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -27.04 67.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 0.0 114.061 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.21 -46.47 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.694 1.197 . . . . 0.0 110.45 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -12.25 57.03 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -22.42 58.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.73 1.212 . . . . 0.0 114.053 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.03 121.81 28.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.856 0.862 . . . . 0.0 111.509 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.3 -9.83 58.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.173 0.989 . . . . 0.0 113.436 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.98 4.48 14.18 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.932 1.693 . . . . 0.0 114.0 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -79.69 -10.79 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.538 1.935 . . . . 0.0 113.724 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -46.39 104.09 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.333 2.253 . . . . 0.0 113.235 -174.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.85 150.32 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.353 0.597 . . . . 0.0 112.539 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 147.67 49.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.729 1.212 . . . . 0.0 112.017 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.68 86.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.475 1.11 . . . . 0.0 113.667 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -66.72 -44.24 82.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.651 -0.656 . . . . 0.0 110.797 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 m -73.35 -26.54 61.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.494 1.118 . . . . 0.0 112.641 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -53.47 -53.2 54.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.827 1.251 . . . . 0.0 112.86 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -54.59 -28.96 50.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.87 -45.67 34.35 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.78 -30.81 71.05 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.44 1.496 . . . . 0.0 113.002 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -50.64 -39.14 49.7 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.044 0.938 . . . . 0.0 110.542 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.08 -63.31 1.19 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.508 1.523 . . . . 0.0 112.993 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.47 -50.51 59.69 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.567 0.622 . . . . 0.0 111.534 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -59.77 -38.74 82.65 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.09 0.956 . . . . 0.0 112.726 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -58.78 -30.2 67.39 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.921 1.237 . . . . 0.0 112.293 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.7 -32.82 31.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.344 -0.847 . . . . 0.0 111.946 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -59.1 -19.17 42.03 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.586 -0.696 . . . . 0.0 112.635 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.16 -20.98 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.318 1.047 . . . . 0.0 112.481 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -32.04 4.27 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.507 1.523 . . . . 0.0 112.497 -177.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 p -110.94 -25.69 9.69 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.105 1.362 . . . . 0.0 112.577 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.02 146.59 32.33 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 124.863 1.22 . . . . 0.0 111.158 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -177.42 6.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.954 -1.123 . . . . 0.0 113.678 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.0 p -47.32 -52.36 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.743 1.217 . . . . 0.0 113.352 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -60.63 -35.07 75.27 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.674 1.189 . . . . 0.0 111.663 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.47 -48.96 14.29 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.961 1.304 . . . . 0.0 112.016 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.16 -50.06 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.286 1.434 . . . . 0.0 111.27 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.15 74.97 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.13 -33.45 67.79 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.913 -1.117 . . . . 0.0 112.342 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.72 -65.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.93 1.292 . . . . 0.0 110.122 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.52 67.98 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.83 -52.87 63.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 126.65 1.98 . . . . 0.0 111.191 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -51.47 61.21 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.693 0.62 . . . . 0.0 110.299 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.55 -47.15 80.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 175.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.99 -46.49 78.68 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.982 -1.074 . . . . 0.0 113.211 175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.79 -25.92 59.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.43 -34.81 69.34 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.88 1.272 . . . . 0.0 112.157 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -81.2 -32.14 33.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.013 0.925 . . . . 0.0 112.287 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.57 -4.7 83.83 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.944 1.735 . . . . 0.0 114.895 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.72 167.22 25.2 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.043 2.137 . . . . 0.0 111.18 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -12.28 60.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.51 67.96 5.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.497 2.319 . . . . 0.0 111.562 177.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.56 151.12 29.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.82 1.248 . . . . 0.0 112.902 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -76.37 170.55 16.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.272 0.629 . . . . 0.0 110.83 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.0 -50.7 60.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.865 1.266 . . . . 0.0 112.727 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.62 -39.43 95.1 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 123.686 0.66 . . . . 0.0 113.753 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -72.87 -48.16 39.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.9 0.88 . . . . 0.0 110.435 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.52 -34.98 52.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.73 1.612 . . . . 0.0 112.938 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -59.52 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.399 1.48 . . . . 0.0 113.081 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.42 -41.0 49.18 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.02 0.528 . . . . 0.0 111.778 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.65 -45.93 70.38 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.913 0.885 . . . . 0.0 111.712 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -49.48 -41.57 40.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.898 1.679 . . . . 0.0 112.866 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.86 -50.05 22.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.06 0.944 . . . . 0.0 111.031 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.64 71.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -54.84 31.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.587 2.355 . . . . 0.0 110.889 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -55.38 -24.37 29.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.482 1.513 . . . . 0.0 113.0 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.38 -38.85 11.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.4 1.08 . . . . 0.0 113.468 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.35 -61.41 2.01 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.394 1.478 . . . . 0.0 110.454 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -19.08 25.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.691 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -46.74 86.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.133 1.773 . . . . 0.0 112.254 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.89 -48.6 12.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.72 0.772 . . . . 0.0 109.644 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.83 -20.26 63.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.303 1.841 . . . . 0.0 112.811 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.03 -38.18 1.57 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.579 2.751 . . . . 0.0 113.016 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -63.21 1.26 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.318 1.047 . . . . 0.0 111.903 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.45 -21.88 61.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -44.63 67.29 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.848 1.259 . . . . 0.0 111.881 175.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 42.81 35.39 0.71 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.806 2.042 . . . . 0.0 114.176 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.4 -165.99 0.93 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.403 2.281 . . . . 0.0 111.458 -169.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.43 159.66 29.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.389 1.075 . . . . 0.0 111.557 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.31 -27.77 49.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.845 0.858 . . . . 0.0 112.991 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -26.74 12.76 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.178 1.791 . . . . 0.0 112.672 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -59.53 4.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.907 1.231 . . . . 0.0 109.38 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.23 -43.09 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 123.782 0.833 . . . . 0.0 111.864 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.17 -45.81 79.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.567 0.747 . . . . 0.0 111.359 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -74.7 -34.28 62.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -55.37 -21.97 17.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.039 1.29 . . . . 0.0 112.941 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.0 mt -52.82 -44.12 66.44 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 119.145 0.884 . . . . 0.0 112.228 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.72 -31.85 69.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.721 0.809 . . . . 0.0 112.621 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -80.85 -30.22 35.69 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.302 1.841 . . . . 0.0 113.135 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 32.2 mt -80.98 -65.49 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.892 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -73.76 -5.94 43.88 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.169 1.787 . . . . 0.0 112.893 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 CA--C 1.548 0.882 0 C-N-CA 127.438 2.295 . . . . 0.0 112.837 179.211 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -156.09 -34.61 0.09 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.514 1.526 . . . . 0.0 112.249 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 115.45 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.892 1.277 . . . . 0.0 112.216 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.25 174.77 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.676 1.99 . . . . 0.0 112.132 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 p -111.99 177.17 4.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.945 1.698 . . . . 0.0 110.458 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.52 -22.58 8.44 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.088 1.355 . . . . 0.0 114.001 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -60.41 -54.2 48.42 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.826 1.25 . . . . 0.0 112.854 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -42.99 80.37 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.816 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -55.89 -29.78 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 123.752 0.658 . . . . 0.0 110.909 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -76.96 -49.87 14.5 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.29 -1.506 . . . . 0.0 111.126 175.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -58.94 -51.7 68.92 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.754 1.222 . . . . 0.0 112.341 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 p -55.73 -46.54 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.963 1.305 . . . . 0.0 111.66 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.5 -38.66 69.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.218 0.917 . . . . 0.0 111.312 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.71 69.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.143 1.377 . . . . 0.0 114.082 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.97 -47.07 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.406 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -13.56 55.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -58.04 -27.06 63.24 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.019 1.327 . . . . 0.0 114.201 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -82.03 121.58 26.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.052 1.341 . . . . 0.0 111.955 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.57 -5.34 59.14 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.31 6.32 12.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.673 1.989 . . . . 0.0 114.125 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 pp -85.25 -8.14 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.066 2.146 . . . . 0.0 114.091 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -46.55 104.9 0.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.351 2.26 . . . . 0.0 113.968 -171.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.27 122.37 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.881 1.272 . . . . 0.0 111.269 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 137.77 58.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.505 1.522 . . . . 0.0 112.582 176.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -60.02 -30.66 69.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.944 1.297 . . . . 0.0 114.462 -174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -63.45 -46.42 86.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.791 1.236 . . . . 0.0 111.534 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.2 m -79.62 -24.81 41.68 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.286 1.035 . . . . 0.0 112.104 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -50.3 -45.59 54.72 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.559 1.072 . . . . 0.0 113.116 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -53.07 -32.47 47.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.108 0.963 . . . . 0.0 112.877 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.8 -41.75 13.84 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.435 1.894 . . . . 0.0 112.0 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.16 61.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.165 . . . . 0.0 112.06 175.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.09 -41.82 62.72 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.074 0.95 . . . . 0.0 111.09 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -65.5 -58.23 6.31 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.714 1.206 . . . . 0.0 112.736 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.48 -48.31 71.97 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.826 0.739 . . . . 0.0 111.114 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -62.28 -37.93 87.39 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.104 0.961 . . . . 0.0 113.02 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -35.11 65.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.75 1.159 . . . . 0.0 112.39 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.38 -39.01 48.75 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.318 -0.864 . . . . 0.0 111.546 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -53.87 -23.09 11.4 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.65 -20.72 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.417 1.087 . . . . 0.0 112.71 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -120.09 -32.48 4.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.703 2.001 . . . . 0.0 112.428 -173.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -114.17 -28.91 7.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.083 1.353 . . . . 0.0 112.228 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.27 142.95 33.63 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 125.34 1.448 . . . . 0.0 111.589 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.45 177.4 9.01 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.15 -52.35 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.063 1.745 . . . . 0.0 113.508 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -59.95 -27.01 66.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.509 1.524 . . . . 0.0 112.888 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.69 -46.49 9.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.213 1.405 . . . . 0.0 111.811 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.9 mm -52.35 -47.54 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.186 1.394 . . . . 0.0 110.749 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.56 81.14 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.5 -46.29 76.73 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.327 -0.858 . . . . 0.0 110.094 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.05 -63.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.581 1.152 . . . . 0.0 110.986 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -62.15 -48.91 78.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.579 1.952 . . . . 0.0 111.373 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -52.86 -51.75 59.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.25 0.62 . . . . 0.0 109.942 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.86 -41.36 97.74 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.68 -50.53 73.49 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.946 0.794 . . . . 0.0 112.501 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.9 mt -74.44 -19.33 60.44 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -35.24 72.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.902 1.281 . . . . 0.0 111.899 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 -28.83 14.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.665 1.186 . . . . 0.0 111.991 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.67 17.8 74.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.093 1.33 . . . . 0.0 113.997 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -151.42 179.31 8.45 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.606 1.962 . . . . 0.0 111.664 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -8.86 33.62 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.523 1.529 . . . . 0.0 114.383 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -94.99 57.08 2.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.41 1.884 . . . . 0.0 110.669 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.74 140.65 46.83 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.981 0.912 . . . . 0.0 111.437 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -65.24 166.1 10.4 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.888 0.475 . . . . 0.0 110.946 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -48.44 -46.47 37.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.054 0.942 . . . . 0.0 112.575 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.53 -52.57 49.37 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.038 0.827 . . . . 0.0 113.624 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -68.0 -41.12 82.76 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.952 1.376 . . . . 0.0 112.056 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -56.82 -33.91 67.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.44 1.496 . . . . 0.0 113.101 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -50.71 -59.54 3.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.024 1.33 . . . . 0.0 112.78 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttm -76.42 -38.54 55.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.101 0.56 . . . . 0.0 112.084 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.46 -46.77 73.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.641 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -50.75 -39.8 53.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.046 1.338 . . . . 0.0 112.679 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -50.57 26.78 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.522 1.129 . . . . 0.0 111.256 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.04 69.77 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -65.02 -54.8 24.67 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.347 2.259 . . . . 0.0 110.898 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t -58.25 -21.81 49.91 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.649 1.18 . . . . 0.0 112.603 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -92.27 -42.12 10.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.547 1.539 . . . . 0.0 112.967 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.8 tp -46.74 -58.96 3.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.477 1.511 . . . . 0.0 110.23 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -19.51 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -61.57 -46.04 91.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.927 1.691 . . . . 0.0 112.044 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.7 -48.97 11.8 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.948 0.88 . . . . 0.0 109.597 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.39 -18.52 61.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.08 1.752 . . . . 0.0 113.11 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -43.36 -37.96 2.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.243 2.617 . . . . 0.0 113.398 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -61.41 2.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.11 1.364 . . . . 0.0 111.803 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.62 -24.63 58.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -43.98 50.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.58 1.152 . . . . 0.0 111.42 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.29 33.29 0.82 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.23 2.212 . . . . 0.0 113.78 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.47 -166.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.556 2.342 . . . . 0.0 111.381 -168.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.2 m -67.29 159.8 28.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.442 1.097 . . . . 0.0 111.723 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.11 -27.89 48.53 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.305 -0.872 . . . . 0.0 113.032 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 -27.9 13.07 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.465 175.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.75 -57.14 11.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 120.462 1.483 . . . . 0.0 109.924 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mt -81.25 -42.0 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.734 0.814 . . . . 0.0 111.687 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -57.03 -46.49 82.34 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.459 0.704 . . . . 0.0 111.682 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -32.82 62.32 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.95 -19.0 15.61 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.18 1.355 . . . . 0.0 113.032 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.34 -36.69 66.56 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.383 0.992 . . . . 0.0 111.301 174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -64.19 -25.42 68.07 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 0.0 112.731 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -91.22 -16.02 28.33 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.779 2.031 . . . . 0.0 113.191 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.59 -67.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.636 1.174 . . . . 0.0 110.831 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.58 -14.21 59.71 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.485 1.114 . . . . 0.0 112.727 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 128.357 2.663 . . . . 0.0 114.257 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -159.68 -37.12 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.217 1.407 . . . . 0.0 112.058 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.43 116.38 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.729 1.212 . . . . 0.0 112.219 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.93 177.28 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 126.056 1.743 . . . . 0.0 112.095 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -114.95 177.27 4.71 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.687 1.995 . . . . 0.0 111.128 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.43 -29.74 6.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.294 1.038 . . . . 0.0 113.708 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.15 -56.3 21.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.981 1.313 . . . . 0.0 113.108 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -42.89 83.82 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.879 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.36 -28.63 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.814 0.696 . . . . 0.0 110.936 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -48.66 16.66 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.274 -1.516 . . . . 0.0 111.665 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.53 -52.66 62.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.142 0.977 . . . . 0.0 112.594 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.98 -40.61 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.099 0.96 . . . . 0.0 111.761 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.96 -33.2 72.83 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.375 0.67 . . . . 0.0 112.254 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 t -74.35 -29.62 61.65 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.414 1.085 . . . . 0.0 112.583 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.63 -53.01 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.962 -1.086 . . . . 0.0 111.455 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.36 -9.21 59.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -26.25 50.9 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.0 147.72 49.76 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.984 0.914 . . . . 0.0 112.62 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -112.45 -5.9 14.04 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.037 1.335 . . . . 0.0 114.353 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -92.73 10.82 29.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.265 1.426 . . . . 0.0 112.97 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.12 -10.05 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.742 1.617 . . . . 0.0 112.943 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -42.45 104.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.841 2.456 . . . . 0.0 112.679 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.29 151.3 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.517 0.727 . . . . 0.0 111.569 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.42 145.16 56.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.046 0.938 . . . . 0.0 111.754 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 p -66.32 -41.74 89.23 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.956 1.302 . . . . 0.0 113.872 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.9 m -65.57 -42.83 91.33 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.279 -0.888 . . . . 0.0 111.268 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -75.49 -25.0 56.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.833 0.853 . . . . 0.0 112.449 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CE3' HD13 ' A' ' 66' ' ' LEU . 6.8 t-105 -51.46 -50.89 58.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.884 1.22 . . . . 0.0 112.264 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.12 -31.27 51.77 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -78.69 -46.02 20.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.158 1.383 . . . . 0.0 111.23 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -58.34 -29.03 65.63 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.553 1.141 . . . . 0.0 112.366 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.68 -38.82 56.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.86 0.864 . . . . 0.0 110.463 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -65.34 -62.02 1.78 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.052 1.741 . . . . 0.0 112.469 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.5 -52.05 41.81 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.451 0.7 . . . . 0.0 111.204 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.72 -38.42 85.03 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.092 -0.956 . . . . 0.0 113.089 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mtt -58.14 -29.46 65.57 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.048 1.294 . . . . 0.0 112.478 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.98 -42.24 33.45 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.189 0.995 . . . . 0.0 110.616 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -15.99 4.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -72.08 -26.47 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.721 1.208 . . . . 0.0 112.628 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 -27.77 5.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.172 1.389 . . . . 0.0 113.358 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 p -106.78 -28.81 9.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.827 1.251 . . . . 0.0 111.854 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.2 154.41 51.83 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-O 122.377 0.987 . . . . 0.0 111.632 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 178.96 5.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.906 -1.147 . . . . 0.0 112.55 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.64 -48.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.856 1.262 . . . . 0.0 113.278 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -63.62 -28.96 70.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.032 1.333 . . . . 0.0 112.291 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -82.97 -49.08 9.97 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.61 1.164 . . . . 0.0 112.126 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.8 mm -49.59 -52.68 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.744 1.618 . . . . 0.0 112.211 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.68 77.57 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.76 -31.07 70.71 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.556 -1.34 . . . . 0.0 113.28 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -65.3 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 123.961 0.904 . . . . 0.0 109.613 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -30.58 62.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.47 -57.21 13.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 126.121 1.768 . . . . 0.0 110.421 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -49.04 68.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.275 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.19 -38.41 70.92 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.24 -50.53 38.84 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.02 -22.78 64.04 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.545 -0.722 . . . . 0.0 112.846 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.422 HD13 ' CE3' ' A' ' 37' ' ' TRP . 1.7 mt -55.81 -29.99 60.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.459 1.504 . . . . 0.0 113.053 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -25.83 13.64 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.055 1.342 . . . . 0.0 113.362 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.64 14.31 82.18 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.747 1.165 . . . . 0.0 114.47 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.71 166.63 30.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.196 1.798 . . . . 0.0 111.235 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -28.29 69.66 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.73 71.3 4.21 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.642 1.977 . . . . 0.0 111.405 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.55 150.51 44.69 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.226 -0.922 . . . . 0.0 112.164 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.7 m -64.15 153.7 36.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.049 0.54 . . . . 0.0 110.002 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.22 -41.76 60.51 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.27 0.628 . . . . 0.0 112.294 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.14 52.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.171 0.891 . . . . 0.0 113.465 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.77 -44.79 76.62 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.029 1.415 . . . . 0.0 111.328 175.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.57 -34.91 27.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.726 1.21 . . . . 0.0 112.995 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -59.54 4.28 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.675 1.59 . . . . 0.0 112.844 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.0 ttm -76.36 -36.8 57.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.236 0.471 . . . . 0.0 112.092 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.19 -48.48 64.99 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.936 0.894 . . . . 0.0 111.025 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.23 -33.73 54.11 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.498 1.045 . . . . 0.0 112.821 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -52.54 10.25 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.377 1.071 . . . . 0.0 110.927 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.07 71.3 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.41 -55.85 23.82 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.444 2.298 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -19.44 57.65 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.638 0.775 . . . . 0.0 112.775 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.1 mt -92.23 -38.96 11.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.377 1.471 . . . . 0.0 112.683 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -50.23 -57.43 7.82 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.839 1.256 . . . . 0.0 110.715 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -14.22 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -44.56 79.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.305 1.842 . . . . 0.0 112.225 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.3 -48.83 10.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.869 0.843 . . . . 0.0 110.051 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.19 -19.7 63.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 113.097 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.85 1.84 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.82 2.448 . . . . 0.0 113.672 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -67.29 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.235 1.414 . . . . 0.0 111.806 176.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.25 -22.36 63.84 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -46.45 60.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.474 1.109 . . . . 0.0 111.116 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 46.46 30.59 1.11 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.857 1.663 . . . . 0.0 114.146 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -167.07 1.43 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.077 2.151 . . . . 0.0 111.955 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.3 m -63.04 156.2 25.47 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.365 1.066 . . . . 0.0 111.379 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -55.53 -27.37 48.46 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.321 -0.862 . . . . 0.0 112.907 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -53.47 -23.5 10.36 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.409 1.484 . . . . 0.0 112.774 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.55 -59.89 4.5 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.106 1.321 . . . . 0.0 109.709 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -77.83 -40.5 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.82 0.848 . . . . 0.0 111.775 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.51 -46.84 80.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.685 0.794 . . . . 0.0 111.429 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.1 m -74.56 -33.09 62.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.946 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -25.24 18.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.863 1.665 . . . . 0.0 112.786 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.3 mt -55.77 -32.25 63.3 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.494 -0.754 . . . . 0.0 111.622 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -29.83 70.48 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.136 0.974 . . . . 0.0 113.605 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.66 -29.19 18.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.762 2.025 . . . . 0.0 112.103 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.75 -63.87 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.318 1.447 . . . . 0.0 110.496 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.21 5.13 35.63 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.343 1.857 . . . . 0.0 112.884 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.5 t30 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 127.313 2.245 . . . . 0.0 113.691 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -137.73 -31.52 0.78 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.347 1.459 . . . . 0.0 113.168 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -61.28 107.81 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.561 1.545 . . . . 0.0 112.381 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.01 175.44 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.306 1.842 . . . . 0.0 112.4 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.6 p -115.81 179.29 4.02 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.54 2.336 . . . . 0.0 111.009 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.49 -25.83 7.25 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -56.86 -56.23 24.32 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.74 1.155 . . . . 0.0 112.999 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.36 89.42 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.224 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -55.92 -31.64 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 119.179 0.9 . . . . 0.0 111.768 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -42.94 37.03 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.328 -1.483 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.45 -52.51 52.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.092 0.957 . . . . 0.0 112.782 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.81 -42.94 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.495 1.518 . . . . 0.0 111.889 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -57.23 -44.06 83.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.902 0.774 . . . . 0.0 111.628 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -60.3 -23.7 64.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.306 1.442 . . . . 0.0 113.89 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.22 -47.23 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.575 1.15 . . . . 0.0 110.455 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -15.9 41.29 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -56.11 -24.94 43.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 114.144 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.56 121.74 28.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.041 1.336 . . . . 0.0 112.344 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -81.83 -0.68 44.54 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 0.0 114.18 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -87.75 17.89 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.656 1.983 . . . . 0.0 113.422 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 pp -101.04 -4.43 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.807 2.043 . . . . 0.0 112.822 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -46.6 104.16 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.218 2.207 . . . . 0.0 112.825 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.46 129.86 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.581 1.152 . . . . 0.0 109.868 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.06 140.95 58.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.758 0.823 . . . . 0.0 111.97 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -59.89 -34.98 73.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.216 1.407 . . . . 0.0 114.627 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -61.74 -43.94 97.87 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.523 -0.736 . . . . 0.0 111.06 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.3 m -81.66 -23.72 36.74 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.458 1.103 . . . . 0.0 112.56 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -51.43 -45.04 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.751 1.22 . . . . 0.0 112.826 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -51.85 -33.88 38.23 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.149 0.98 . . . . 0.0 112.873 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -86.87 -40.28 15.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.269 1.828 . . . . 0.0 112.512 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -35.9 60.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.29 1.036 . . . . 0.0 112.117 175.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.41 -42.32 63.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.046 0.939 . . . . 0.0 110.958 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -63.98 -58.84 5.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.603 1.561 . . . . 0.0 112.683 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.06 -50.49 66.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.365 0.53 . . . . 0.0 110.764 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -59.81 -37.48 79.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.997 0.919 . . . . 0.0 113.157 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mtt -57.91 -31.69 67.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.737 1.153 . . . . 0.0 112.359 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -80.92 -34.98 32.98 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.274 -0.892 . . . . 0.0 111.512 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -15.65 29.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.284 -0.885 . . . . 0.0 113.064 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mm -72.31 -25.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.627 1.103 . . . . 0.0 112.619 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.01 -26.42 5.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.502 1.521 . . . . 0.0 114.024 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -28.79 8.66 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.034 1.333 . . . . 0.0 112.112 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 141.39 31.02 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 124.812 1.196 . . . . 0.0 110.815 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.46 176.43 8.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.16 -1.02 . . . . 0.0 112.105 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.36 -49.9 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.707 1.603 . . . . 0.0 112.225 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -58.59 -26.77 63.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.761 1.224 . . . . 0.0 112.842 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -86.74 -46.02 10.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.922 1.289 . . . . 0.0 113.3 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -50.75 -48.89 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 121.071 1.759 . . . . 0.0 111.367 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.5 84.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.31 -45.88 86.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.756 0.707 . . . . 0.0 110.624 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.9 t -52.52 -64.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.685 1.194 . . . . 0.0 111.36 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -35.21 68.62 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -60.48 -54.34 46.71 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.391 1.477 . . . . 0.0 109.803 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.49 -52.65 36.33 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.154 0.581 . . . . 0.0 110.159 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.68 -39.62 71.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 175.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.25 -50.59 63.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.926 -1.109 . . . . 0.0 113.517 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.62 -27.06 65.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.093 0.86 . . . . 0.0 112.689 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.58 -31.48 68.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.183 1.393 . . . . 0.0 113.116 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -30.4 10.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.577 1.551 . . . . 0.0 112.429 177.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.73 21.57 69.3 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.527 1.06 . . . . 0.0 114.27 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.93 163.95 31.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.749 1.62 . . . . 0.0 110.983 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.19 -37.17 72.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.188 0.995 . . . . 0.0 112.854 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.46 81.0 5.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.205 1.402 . . . . 0.0 109.989 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.96 162.27 11.59 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.115 0.566 . . . . 0.0 111.61 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 m -59.91 147.26 39.26 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.666 -0.646 . . . . 0.0 110.494 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -49.59 -43.55 46.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.991 0.917 . . . . 0.0 112.037 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.11 99.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.404 1.002 . . . . 0.0 114.515 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.69 -44.92 65.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.545 1.173 . . . . 0.0 111.035 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -51.76 -31.19 25.72 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.241 1.417 . . . . 0.0 112.825 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -53.72 -59.52 4.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.782 1.633 . . . . 0.0 112.521 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttm -76.15 -35.32 59.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.897 0.879 . . . . 0.0 111.895 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.32 -47.62 75.38 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.959 -0.543 . . . . 0.0 111.446 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -53.49 -34.19 57.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.209 0.913 . . . . 0.0 112.359 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -72.73 -54.42 9.0 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.925 1.29 . . . . 0.0 110.54 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.2 69.46 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -61.5 -49.44 76.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.556 1.942 . . . . 0.0 111.371 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -63.02 -22.74 67.06 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.25 -35.94 13.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.034 2.134 . . . . 0.0 113.546 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.4 tp -50.44 -58.1 6.51 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.78 1.632 . . . . 0.0 109.778 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -20.17 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.831 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -55.93 26.13 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -177.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.06 -46.52 77.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.886 1.274 . . . . 0.0 111.27 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.0 -18.08 64.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.5 t -47.11 -31.76 3.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.724 2.409 . . . . 0.0 113.192 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -70.19 0.12 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.199 1.4 . . . . 0.0 112.578 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.69 -17.58 60.65 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.79 -46.83 42.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.166 1.386 . . . . 0.0 111.529 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 t70 48.55 28.13 1.66 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 126.572 1.949 . . . . 0.0 114.194 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.48 -166.97 1.91 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 111.902 -169.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -69.04 159.97 31.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.722 1.209 . . . . 0.0 112.051 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.46 -27.59 57.31 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.034 -1.041 . . . . 0.0 112.976 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -23.99 16.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.975 1.31 . . . . 0.0 112.302 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -59.81 4.46 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.414 1.461 . . . . 0.0 109.039 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 mt -77.9 -41.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.399 1.08 . . . . 0.0 111.934 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.8 -46.35 87.78 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.818 0.847 . . . . 0.0 111.779 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -74.8 -32.18 61.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.693 0.797 . . . . 0.0 112.56 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -25.83 12.14 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.107 1.322 . . . . 0.0 113.033 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.2 mt -52.75 -41.31 63.9 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.984 -1.073 . . . . 0.0 113.332 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.73 -22.55 66.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -29.6 17.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.887 2.475 . . . . 0.0 112.187 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.4 mt -83.78 -66.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.69 1.196 . . . . 0.0 111.038 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.81 -14.27 59.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 -176.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.757 2.423 . . . . 0.0 113.349 -179.816 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.22 -29.78 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.42 1.088 . . . . 0.0 112.639 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 tp -57.2 106.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.748 1.619 . . . . 0.0 112.76 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -142.81 177.75 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 112.618 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -118.83 178.23 4.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.535 1.934 . . . . 0.0 110.413 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.96 -29.38 12.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.154 0.982 . . . . 0.0 113.534 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.33 -54.5 46.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.37 1.068 . . . . 0.0 112.721 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.81 -33.49 76.11 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.674 1.19 . . . . 0.0 111.594 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.39 -34.49 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.77 0.714 . . . . 0.0 111.262 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.99 -31.33 64.44 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.249 -1.532 . . . . 0.0 112.736 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -75.44 -52.42 10.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.106 0.962 . . . . 0.0 112.528 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.79 -39.77 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.43 1.092 . . . . 0.0 112.289 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.47 -27.51 67.61 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 -24.08 39.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.324 1.45 . . . . 0.0 113.452 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.61 -53.11 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.64 1.176 . . . . 0.0 110.594 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -10.18 59.75 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -26.15 59.79 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.84 146.83 45.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.268 1.027 . . . . 0.0 112.725 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -109.8 -5.72 15.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.012 1.325 . . . . 0.0 114.137 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -93.05 6.24 48.63 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.479 1.912 . . . . 0.0 113.024 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.74 -9.43 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.783 2.033 . . . . 0.0 113.597 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -48.49 106.83 0.11 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.72 2.008 . . . . 0.0 113.072 -172.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.09 135.09 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.766 0.827 . . . . 0.0 110.6 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 143.62 52.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.043 1.337 . . . . 0.0 112.22 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 m -60.11 -42.5 94.84 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.5 m -59.79 -40.17 87.39 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.379 -0.826 . . . . 0.0 111.501 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -81.6 -26.14 35.15 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.576 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -56.11 -48.03 76.95 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.373 1.469 . . . . 0.0 112.276 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -52.33 -34.46 47.27 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.651 0.781 . . . . 0.0 112.166 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -82.09 -41.7 20.19 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.37 1.868 . . . . 0.0 111.573 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.08 64.6 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.512 1.525 . . . . 0.0 113.026 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.6 -42.09 67.3 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.602 0.761 . . . . 0.0 111.079 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -65.49 -58.03 6.82 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.458 1.503 . . . . 0.0 112.442 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -52.62 -52.04 57.29 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.577 0.626 . . . . 0.0 111.133 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -59.46 -37.42 78.11 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.382 -0.818 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -30.89 67.27 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.479 1.036 . . . . 0.0 112.849 174.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.35 -41.22 28.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 111.032 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -54.24 -18.46 3.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mm -69.1 -26.88 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.845 1.258 . . . . 0.0 112.574 177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -28.5 4.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.327 1.451 . . . . 0.0 113.362 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -107.05 -24.57 11.93 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.448 1.099 . . . . 0.0 112.366 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.72 157.51 50.59 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 124.197 0.903 . . . . 0.0 111.867 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.32 177.68 6.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.139 -1.03 . . . . 0.0 112.484 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.16 -46.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.302 1.041 . . . . 0.0 111.626 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.53 -38.31 89.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.982 0.913 . . . . 0.0 110.58 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.92 -49.32 30.29 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.2 mm -48.2 -50.35 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.928 1.694 . . . . 0.0 111.685 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.45 96.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -63.46 -40.87 98.27 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.092 -1.005 . . . . 0.0 111.996 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -56.3 -63.38 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.526 1.13 . . . . 0.0 110.454 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -61.07 -54.46 44.42 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.834 1.654 . . . . 0.0 110.339 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -49.75 -53.41 25.13 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.94 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.21 -41.01 83.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -50.6 68.23 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.189 -0.945 . . . . 0.0 113.024 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mp -70.67 -27.14 63.8 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 -36.28 71.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.461 1.104 . . . . 0.0 111.797 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.3 24.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.8 0.84 . . . . 0.0 111.942 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.65 19.63 79.25 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.771 1.176 . . . . 0.0 114.366 -175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.58 169.5 23.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.088 1.355 . . . . 0.0 111.864 -178.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -69.29 -40.27 77.82 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.661 1.184 . . . . 0.0 113.349 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.54 87.66 6.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.551 1.541 . . . . 0.0 110.894 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.94 161.8 30.44 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.243 0.544 . . . . 0.0 112.069 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.8 m -64.64 151.44 44.82 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.773 0.429 . . . . 0.0 110.218 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -51.77 -39.79 59.21 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.562 0.745 . . . . 0.0 111.998 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.11 -52.78 50.73 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 123.941 0.782 . . . . 0.0 112.999 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.97 -40.12 90.98 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.659 1.23 . . . . 0.0 112.006 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -51.2 -31.56 20.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.775 1.23 . . . . 0.0 112.613 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -55.69 -58.95 5.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.672 1.589 . . . . 0.0 112.77 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -76.35 -38.71 55.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.628 0.771 . . . . 0.0 112.594 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 tp -54.69 -47.54 73.54 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.557 0.743 . . . . 0.0 111.595 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.52 -38.78 21.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.13 1.372 . . . . 0.0 112.766 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -54.38 9.14 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.455 1.102 . . . . 0.0 110.921 175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.24 64.63 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -64.04 -54.52 32.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.126 2.17 . . . . 0.0 111.084 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -60.82 -22.56 64.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.314 1.046 . . . . 0.0 112.676 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -92.41 -35.1 13.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.228 1.411 . . . . 0.0 113.291 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.4 -58.04 7.96 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.826 1.651 . . . . 0.0 110.067 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -21.99 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.586 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -63.53 -53.57 49.83 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.154 1.382 . . . . 0.0 112.362 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.4 -46.14 77.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.915 0.886 . . . . 0.0 111.569 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.09 -18.05 63.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 113.658 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 t -46.33 -33.86 4.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.959 2.504 . . . . 0.0 113.283 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -70.45 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.607 1.563 . . . . 0.0 112.58 175.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.42 -18.71 61.11 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.09 -46.63 44.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 111.293 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.9 t0 46.06 33.27 1.64 Allowed 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.012 1.725 . . . . 0.0 113.802 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.23 -167.49 1.48 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.406 2.283 . . . . 0.0 111.811 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.5 m -67.39 158.22 32.21 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.79 1.236 . . . . 0.0 111.648 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -54.28 -29.45 47.31 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.212 -0.93 . . . . 0.0 112.751 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -27.67 8.56 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.399 1.48 . . . . 0.0 112.344 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.1 -59.14 5.05 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.535 1.516 . . . . 0.0 110.252 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.13 -42.28 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.72 0.808 . . . . 0.0 111.788 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.95 -46.89 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.483 0.713 . . . . 0.0 111.44 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -74.74 -32.56 62.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.883 -1.056 . . . . 0.0 112.78 175.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.49 -25.74 17.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.3 1.409 . . . . 0.0 112.774 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.24 -36.91 61.6 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.279 0.945 . . . . 0.0 111.993 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -63.49 -34.41 77.71 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -81.55 -29.17 33.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.333 1.853 . . . . 0.0 112.525 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.7 mt -77.61 -62.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.021 1.328 . . . . 0.0 109.961 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.28 8.41 21.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.046 1.738 . . . . 0.0 113.3 -176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 127.504 2.322 . . . . 0.0 113.374 -179.593 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -96.74 142.88 28.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.25 1.42 . . . . 0.0 111.175 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.79 135.22 6.37 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.143 1.377 . . . . 0.0 110.803 175.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 ttt -118.85 47.58 1.63 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.103 1.361 . . . . 0.0 111.347 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.07 -144.93 16.1 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.22 1.867 . . . . 0.0 112.258 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -67.33 170.76 6.76 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.511 1.524 . . . . 0.0 111.907 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.1 -29.39 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.343 1.057 . . . . 0.0 113.335 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.33 -61.61 0.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 125.857 1.694 . . . . 0.0 112.439 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 178.82 0.94 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.807 1.243 . . . . 0.0 112.581 175.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 -82.29 0.63 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.019 1.328 . . . . 0.0 109.82 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -142.1 -34.5 0.46 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.267 1.427 . . . . 0.0 112.856 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 tp -59.82 105.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.112 1.365 . . . . 0.0 112.179 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.1 176.58 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.949 1.7 . . . . 0.0 112.102 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -119.67 179.42 4.24 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.187 2.195 . . . . 0.0 110.896 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -27.35 7.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -53.73 -60.59 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.085 1.754 . . . . 0.0 112.373 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -40.88 89.02 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.22 1.008 . . . . 0.0 110.536 175.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.67 -49.24 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.634 1.106 . . . . 0.0 111.082 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -55.88 -43.19 76.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.881 0.873 . . . . 0.0 111.895 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -64.37 -49.84 70.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.092 0.957 . . . . 0.0 111.574 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -52.0 -52.76 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.422 1.489 . . . . 0.0 111.076 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.02 -42.51 63.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.624 0.37 . . . . 0.0 111.499 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -25.01 63.27 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.974 1.31 . . . . 0.0 114.497 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mt -73.14 -45.29 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.716 1.606 . . . . 0.0 110.723 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -12.7 41.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -30.17 41.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.014 1.726 . . . . 0.0 113.279 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.81 143.03 38.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.346 1.058 . . . . 0.0 112.748 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -105.84 -8.79 17.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.351 1.46 . . . . 0.0 113.923 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.3 6.78 28.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.896 1.679 . . . . 0.0 112.893 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -78.82 -11.18 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.319 1.848 . . . . 0.0 113.55 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -40.68 108.9 0.1 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.287 2.235 . . . . 0.0 112.117 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.91 151.13 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.41 0.684 . . . . 0.0 111.568 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.86 149.44 47.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.281 1.033 . . . . 0.0 112.165 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 p -66.4 -44.61 82.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.829 1.251 . . . . 0.0 114.057 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -59.25 -40.49 86.14 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.19 -0.944 . . . . 0.0 111.363 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.4 m -79.09 -27.18 42.93 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 112.69 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -52.56 -43.93 65.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.986 1.314 . . . . 0.0 112.607 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -51.69 -44.08 62.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.196 0.999 . . . . 0.0 112.577 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -79.47 -38.7 33.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.937 1.295 . . . . 0.0 111.858 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 -54.63 -35.7 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.756 1.223 . . . . 0.0 112.289 175.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -53.62 -43.36 68.62 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.606 0.762 . . . . 0.0 110.668 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -63.39 -59.14 5.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.534 1.534 . . . . 0.0 112.762 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.13 -52.18 59.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.397 0.544 . . . . 0.0 111.001 176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -58.56 -37.87 76.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.069 0.948 . . . . 0.0 112.788 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.54 -33.22 67.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.699 1.136 . . . . 0.0 112.482 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -80.43 -37.23 32.45 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.275 -0.891 . . . . 0.0 111.191 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -17.82 2.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mm -74.42 -18.86 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.651 1.181 . . . . 0.0 113.049 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -121.59 -36.11 3.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.737 2.015 . . . . 0.0 112.216 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 t -113.64 -20.78 11.07 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.077 1.351 . . . . 0.0 112.993 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.15 143.73 32.39 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 122.441 1.023 . . . . 0.0 111.299 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.3 m -77.79 170.41 16.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.868 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.6 -49.75 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.415 1.886 . . . . 0.0 113.617 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -60.26 -27.74 67.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.432 1.093 . . . . 0.0 112.587 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.38 -47.99 10.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.282 1.433 . . . . 0.0 112.496 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -48.7 -48.57 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.505 1.502 . . . . 0.0 111.782 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.54 98.05 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.23 -38.71 90.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.599 0.76 . . . . 0.0 111.86 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.02 -67.64 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.067 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -35.38 61.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -62.45 -53.34 56.25 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.758 1.623 . . . . 0.0 111.005 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.02 -53.54 40.57 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 119.021 -0.514 . . . . 0.0 110.182 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mp -54.87 -38.78 67.96 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -50.05 68.52 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.19 -26.4 62.94 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.64 -34.69 71.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 113.005 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -29.48 21.38 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.655 1.182 . . . . 0.0 111.99 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.68 20.47 72.13 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.31 0.957 . . . . 0.0 113.671 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.93 173.45 13.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.072 1.749 . . . . 0.0 111.329 -175.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -60.43 2.3 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.933 1.293 . . . . 0.0 112.398 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.88 86.95 3.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.154 0.982 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.1 154.99 18.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.957 0.503 . . . . 0.0 111.678 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -66.23 163.11 18.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.064 -0.397 . . . . 0.0 110.641 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.65 -38.96 61.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.365 0.666 . . . . 0.0 111.92 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.52 47.48 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.981 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -67.98 -41.43 82.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.699 1.749 . . . . 0.0 111.126 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -53.87 -33.97 57.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.563 1.145 . . . . 0.0 112.952 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -59.49 4.55 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.971 1.259 . . . . 0.0 113.096 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.9 ttm -76.38 -39.02 54.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.201 0.601 . . . . 0.0 112.181 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -56.13 -44.16 78.89 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -49.32 -39.81 32.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.948 1.299 . . . . 0.0 112.567 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -73.97 -54.06 8.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.875 0.87 . . . . 0.0 111.091 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.34 63.76 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -62.31 -53.73 50.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.908 2.083 . . . . 0.0 111.434 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -59.97 -22.42 62.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.459 0.704 . . . . 0.0 112.778 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.48 -34.81 13.95 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.686 1.594 . . . . 0.0 113.311 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.18 -59.82 4.08 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.622 1.569 . . . . 0.0 109.645 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -19.25 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -67.29 -51.28 54.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.971 1.708 . . . . 0.0 112.423 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.47 -47.31 61.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.693 0.797 . . . . 0.0 110.764 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.06 -16.49 64.05 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.41 1.084 . . . . 0.0 113.073 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.4 t -44.62 -37.06 3.37 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.12 2.568 . . . . 0.0 113.485 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.97 15.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.527 1.131 . . . . 0.0 112.188 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.18 57.59 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -45.86 77.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.322 1.049 . . . . 0.0 111.884 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.66 37.67 3.48 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.46 1.904 . . . . 0.0 113.291 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -164.66 0.5 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.354 1.862 . . . . 0.0 112.213 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -65.39 160.75 21.24 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.101 1.361 . . . . 0.0 111.632 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -55.61 -28.11 53.34 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.021 -1.05 . . . . 0.0 113.082 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -27.58 13.39 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.831 1.653 . . . . 0.0 112.268 175.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.93 -52.92 62.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.904 1.229 . . . . 0.0 111.5 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.18 -46.83 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.577 1.151 . . . . 0.0 112.293 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -56.3 -46.44 79.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.856 0.862 . . . . 0.0 111.734 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -73.88 -36.03 64.76 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.282 1.033 . . . . 0.0 112.121 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -56.19 -23.05 32.92 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.677 1.126 . . . . 0.0 112.758 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -53.17 -37.99 62.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.313 0.96 . . . . 0.0 111.406 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -61.73 -33.2 73.63 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.36 -25.53 39.13 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.781 2.033 . . . . 0.0 112.498 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.9 mt -87.4 -61.15 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.762 1.225 . . . . 0.0 110.897 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -80.45 2.41 25.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.56 1.544 . . . . 0.0 112.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 53.75 53.33 11.55 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.531 2.332 . . . . 0.0 113.393 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.7 -35.91 15.51 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.197 0 C-N-CA 127.491 2.317 . . . . 0.0 111.385 179.724 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -154.17 103.93 2.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.435 1.494 . . . . 0.0 111.779 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -104.4 79.33 1.57 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.137 1.375 . . . . 0.0 110.57 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.85 165.94 26.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.476 1.51 . . . . 0.0 111.998 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.47 -71.74 2.46 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.994 1.283 . . . . 0.0 112.346 -176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -158.05 162.78 38.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.844 1.658 . . . . 0.0 111.708 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.38 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.827 1.251 . . . . 0.0 112.849 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.4 4.72 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 126.076 1.798 . . . . 0.0 114.747 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.53 174.46 9.02 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.561 1.945 . . . . 0.0 112.019 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -88.84 -70.8 0.63 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.166 1.786 . . . . 0.0 111.516 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 -36.21 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.988 1.315 . . . . 0.0 112.793 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.42 127.86 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.766 0.826 . . . . 0.0 110.527 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.25 175.3 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 126.921 2.088 . . . . 0.0 112.192 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -109.55 176.86 4.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.655 1.982 . . . . 0.0 110.583 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -23.52 7.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.837 1.255 . . . . 0.0 114.168 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.0 -54.02 51.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.108 1.363 . . . . 0.0 112.288 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -42.4 94.72 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.045 174.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -55.0 -28.5 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.646 0.591 . . . . 0.0 110.952 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.3 -48.78 13.52 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.621 -1.3 . . . . 0.0 111.475 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.12 -50.56 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.06 0.944 . . . . 0.0 112.549 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.16 -46.96 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.86 1.264 . . . . 0.0 112.155 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -56.89 -40.26 75.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.596 0.635 . . . . 0.0 111.061 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -29.33 70.44 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.077 1.351 . . . . 0.0 113.934 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.68 -56.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.996 0.918 . . . . 0.0 110.123 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -15.06 61.44 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -28.42 39.69 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.858 1.263 . . . . 0.0 114.145 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.79 139.0 41.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.366 1.066 . . . . 0.0 112.897 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.16 -7.5 21.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 114.173 -177.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -89.05 3.73 50.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.847 1.659 . . . . 0.0 113.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.63 -14.53 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.21 1.804 . . . . 0.0 113.949 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -52.39 104.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.145 2.178 . . . . 0.0 113.061 -171.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.52 143.71 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.703 0.801 . . . . 0.0 111.175 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 147.87 39.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.357 1.463 . . . . 0.0 113.475 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -36.16 82.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.984 1.314 . . . . 0.0 114.471 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.92 -43.36 98.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.063 0.945 . . . . 0.0 111.329 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -80.24 -25.23 39.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.726 1.21 . . . . 0.0 112.559 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -53.56 -43.4 68.42 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.79 1.236 . . . . 0.0 113.006 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -50.92 -42.14 59.27 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.845 0.858 . . . . 0.0 113.173 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.94 -38.92 26.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.777 1.231 . . . . 0.0 111.83 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -55.45 -37.24 67.47 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.016 1.326 . . . . 0.0 112.443 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.85 -42.23 62.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.666 0.786 . . . . 0.0 110.386 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.39 -56.39 11.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.778 1.231 . . . . 0.0 113.412 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.07 -49.39 73.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.027 0.83 . . . . 0.0 111.654 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -60.18 -36.09 76.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.872 0.869 . . . . 0.0 112.626 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -32.73 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.61 1.095 . . . . 0.0 112.081 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.74 -36.74 36.87 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.059 -1.026 . . . . 0.0 111.452 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -54.2 -22.41 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.27 -19.43 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.211 1.404 . . . . 0.0 112.565 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -122.63 -34.14 3.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.682 1.993 . . . . 0.0 112.464 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.35 -26.19 9.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.594 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.28 144.65 32.2 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 125.368 1.461 . . . . 0.0 111.352 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -84.4 -177.25 6.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.325 -0.938 . . . . 0.0 113.006 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -48.34 -52.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.844 1.658 . . . . 0.0 113.925 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -60.77 -28.05 68.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.813 1.245 . . . . 0.0 112.203 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -85.87 -50.7 6.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.217 1.407 . . . . 0.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.0 -49.21 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.527 1.531 . . . . 0.0 111.156 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.37 75.24 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.49 -33.47 64.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.797 -1.189 . . . . 0.0 111.855 174.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.09 -62.88 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.649 1.18 . . . . 0.0 111.118 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -32.75 71.49 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -59.03 -54.89 41.98 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 126.628 1.971 . . . . 0.0 110.48 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -53.05 52.45 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.487 0.492 . . . . 0.0 110.73 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.4 -47.87 66.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.837 1.255 . . . . 0.0 112.661 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.86 -50.6 73.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -69.39 -29.49 67.25 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.06 -26.5 64.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.702 1.201 . . . . 0.0 112.414 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -106.17 -32.27 8.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.767 1.227 . . . . 0.0 113.288 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 23.15 76.74 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.804 1.192 . . . . 0.0 113.854 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.25 157.3 47.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.379 1.472 . . . . 0.0 112.716 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -63.17 -34.93 78.7 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.62 1.968 . . . . 0.0 114.741 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.92 109.59 14.81 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.003 2.121 . . . . 0.0 109.028 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 172.89 9.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.517 0.727 . . . . 0.0 112.297 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.38 162.97 5.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.1 0.56 . . . . 0.0 112.042 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -50.22 -45.08 53.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.778 0.831 . . . . 0.0 112.449 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.0 -52.72 26.63 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.012 0.815 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.21 -37.63 83.69 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.072 -1.252 . . . . 0.0 112.432 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.93 64.06 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.696 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -56.31 22.13 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.796 1.18 . . . . 0.0 111.785 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.0 ttm -76.4 -37.75 56.68 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.963 0.505 . . . . 0.0 111.95 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.04 -49.09 74.71 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.383 0.673 . . . . 0.0 111.782 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.24 -39.74 57.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.772 1.229 . . . . 0.0 112.415 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -74.27 -49.43 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.091 0.956 . . . . 0.0 111.118 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.27 75.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.237 1.015 . . . . 0.0 113.411 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.47 69.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.281 2.232 . . . . 0.0 110.989 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 t -61.01 -21.39 63.53 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.361 1.064 . . . . 0.0 112.749 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.4 -37.4 12.6 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 113.48 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.69 -58.62 4.47 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.8 1.24 . . . . 0.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -16.03 19.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -67.27 -49.45 64.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.344 1.858 . . . . 0.0 111.712 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.45 -48.37 34.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.55 0.69 . . . . 0.0 110.147 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.71 -15.5 61.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.468 1.507 . . . . 0.0 113.502 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -23.03 6.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.659 1.984 . . . . 0.0 114.115 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -69.09 0.26 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.832 1.253 . . . . 0.0 111.868 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -10.95 60.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -41.2 42.97 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.668 1.187 . . . . 0.0 112.393 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 42.81 32.54 0.4 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.626 2.371 . . . . 0.0 114.207 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -167.55 -165.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.657 2.383 . . . . 0.0 111.633 -167.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 m -73.04 166.29 23.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.344 1.458 . . . . 0.0 112.665 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -58.91 -28.4 66.16 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.686 -1.259 . . . . 0.0 112.923 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -24.62 18.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.264 1.426 . . . . 0.0 112.575 175.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.02 -59.69 5.06 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 121.055 1.752 . . . . 0.0 110.293 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.8 mt -76.19 -39.58 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.901 -0.499 . . . . 0.0 111.421 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.69 -49.0 79.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.736 0.814 . . . . 0.0 112.364 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -74.44 -30.5 61.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -55.95 -21.97 23.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.027 1.285 . . . . 0.0 112.717 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.0 mt -54.2 -35.49 62.42 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.989 0.916 . . . . 0.0 112.892 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -27.71 27.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.607 1.563 . . . . 0.0 112.219 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.49 -67.81 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.376 1.071 . . . . 0.0 110.644 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -78.16 -10.5 59.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.781 1.233 . . . . 0.0 113.415 -175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.17 69.88 0.69 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.305 2.642 . . . . 0.0 113.794 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -30.14 14.67 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.706 2.002 . . . . 0.0 113.447 178.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -145.29 89.38 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.615 1.566 . . . . 0.0 111.627 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -150.79 179.69 8.0 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.809 1.644 . . . . 0.0 112.094 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mtm -115.52 152.54 32.8 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.34 1.856 . . . . 0.0 110.798 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.38 -87.61 0.1 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.592 1.091 . . . . 0.0 111.664 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -124.26 170.43 10.77 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.02 2.128 . . . . 0.0 112.593 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.17 162.95 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.518 1.127 . . . . 0.0 110.37 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -18.53 62.45 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 120.892 -1.13 . . . . 0.0 115.159 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.01 -178.06 3.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.92 2.088 . . . . 0.0 111.78 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -120.46 -80.95 0.63 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.012 1.325 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.65 -32.65 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.721 1.209 . . . . 0.0 112.464 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.19 107.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.068 1.347 . . . . 0.0 111.922 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.36 176.26 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.101 1.76 . . . . 0.0 112.229 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 177.67 4.66 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.756 2.023 . . . . 0.0 110.342 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.95 -30.26 5.75 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.891 1.277 . . . . 0.0 113.532 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -52.4 -57.63 9.23 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.168 1.387 . . . . 0.0 113.585 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.59 88.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.287 174.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.47 -31.6 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.639 0.587 . . . . 0.0 110.684 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -50.16 16.95 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 120.563 -1.336 . . . . 0.0 111.779 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.65 -52.95 63.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.567 1.147 . . . . 0.0 112.271 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 p -55.91 -45.29 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.817 1.247 . . . . 0.0 111.587 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -56.86 -43.69 81.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.809 0.731 . . . . 0.0 110.63 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -25.47 66.52 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.17 -53.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 110.226 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -15.5 59.85 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -28.97 38.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.304 1.442 . . . . 0.0 113.927 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.5 141.4 38.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.483 1.113 . . . . 0.0 112.81 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.93 -13.82 16.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.204 1.401 . . . . 0.0 113.548 -176.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -84.61 3.62 36.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.319 1.847 . . . . 0.0 113.355 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.93 -13.3 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.175 1.79 . . . . 0.0 113.975 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -44.71 106.15 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.091 2.157 . . . . 0.0 112.608 -176.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -69.32 154.8 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.648 0.779 . . . . 0.0 112.042 -176.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.23 148.61 51.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.195 0.998 . . . . 0.0 112.378 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -66.72 -38.28 86.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.1 m -65.54 -45.21 84.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.095 0.958 . . . . 0.0 110.855 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.1 m -72.56 -26.12 61.61 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.464 1.106 . . . . 0.0 112.792 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -52.91 -42.64 65.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.378 1.071 . . . . 0.0 112.571 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.88 -37.31 68.66 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.429 -0.795 . . . . 0.0 112.939 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -44.05 20.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.403 1.481 . . . . 0.0 111.388 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -32.18 20.03 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.037 1.335 . . . . 0.0 113.178 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.4 -39.68 70.47 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.763 0.425 . . . . 0.0 111.075 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -65.0 -64.5 0.85 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.761 1.624 . . . . 0.0 112.455 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -54.31 -40.61 68.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.904 0.775 . . . . 0.0 112.218 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -66.93 -39.04 87.23 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.992 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.5 mtt -59.66 -33.06 71.06 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.79 1.177 . . . . 0.0 112.207 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.14 -33.61 38.41 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.259 -0.9 . . . . 0.0 111.47 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -58.19 -13.66 5.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.9 mm -72.96 -33.85 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.953 1.301 . . . . 0.0 112.885 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -28.56 6.73 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.862 1.265 . . . . 0.0 113.416 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.08 -33.62 10.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.977 1.711 . . . . 0.0 111.165 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.79 51.8 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-O 122.71 1.172 . . . . 0.0 112.867 -173.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -88.4 176.01 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.624 -1.288 . . . . 0.0 111.859 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.41 -49.21 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.029 1.732 . . . . 0.0 112.748 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -59.37 -31.9 69.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -82.45 -48.29 11.25 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.618 1.167 . . . . 0.0 112.688 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 mm -48.76 -50.32 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.923 1.289 . . . . 0.0 111.308 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.74 -33.68 76.19 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.99 -34.56 71.51 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.83 -1.169 . . . . 0.0 112.106 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.84 -64.11 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.06 1.344 . . . . 0.0 110.65 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -33.74 70.79 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -60.56 -55.75 29.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 125.907 1.683 . . . . 0.0 110.565 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -51.52 64.22 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 123.497 0.498 . . . . 0.0 110.444 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.22 -44.84 68.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.494 1.118 . . . . 0.0 112.73 175.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.4 -50.62 73.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.47 -29.16 63.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.76 -36.87 75.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.545 1.538 . . . . 0.0 112.001 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -29.09 29.7 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.07 16.1 72.58 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.763 1.173 . . . . 0.0 114.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -154.99 160.59 41.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.14 1.376 . . . . 0.0 111.821 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -63.14 -39.41 94.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.644 1.578 . . . . 0.0 114.171 174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.41 77.7 8.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.1 152.32 20.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.362 0.665 . . . . 0.0 112.588 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -67.19 154.54 41.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 122.66 0.384 . . . . 0.0 110.404 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -51.01 -42.53 60.47 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.594 0.758 . . . . 0.0 112.357 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 -52.09 51.1 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.434 1.016 . . . . 0.0 113.477 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.34 -37.78 86.12 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.218 -1.166 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -57.22 -30.69 64.8 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.996 1.318 . . . . 0.0 112.615 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -57.79 -56.74 18.05 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.772 1.169 . . . . 0.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.35 -37.63 57.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.464 0.705 . . . . 0.0 112.072 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.29 -47.47 81.38 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.049 0.94 . . . . 0.0 111.679 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.38 -39.28 46.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.743 1.217 . . . . 0.0 112.753 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -53.22 13.37 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.946 0.898 . . . . 0.0 110.935 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.81 66.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.989 0.915 . . . . 0.0 113.395 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -63.98 -55.2 24.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.08 2.152 . . . . 0.0 110.951 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -60.73 -20.16 60.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.293 1.037 . . . . 0.0 112.695 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 mt -92.39 -40.63 10.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.362 1.465 . . . . 0.0 112.809 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -47.61 -60.06 2.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.594 1.557 . . . . 0.0 110.215 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -18.47 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -63.59 -45.11 91.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.089 1.756 . . . . 0.0 112.059 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.44 -48.92 11.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 122.115 0.96 . . . . 0.0 109.455 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.5 -19.14 63.28 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.426 1.891 . . . . 0.0 113.095 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -42.61 -38.28 1.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 128.025 2.53 . . . . 0.0 113.195 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -59.58 4.62 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.8 1.24 . . . . 0.0 112.374 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.58 -22.84 50.32 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -46.1 48.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.849 1.26 . . . . 0.0 111.101 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.3 t70 47.83 29.37 1.58 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.101 2.16 . . . . 0.0 114.111 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -166.14 1.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.819 2.448 . . . . 0.0 111.155 -169.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 m -66.46 161.63 22.37 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.987 1.315 . . . . 0.0 112.385 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -55.52 -28.04 52.4 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.893 -1.129 . . . . 0.0 113.249 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -29.35 12.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.978 1.711 . . . . 0.0 112.404 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.26 -53.15 59.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.81 1.186 . . . . 0.0 111.619 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.18 -46.28 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.506 1.123 . . . . 0.0 112.371 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.31 -46.47 72.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.472 0.709 . . . . 0.0 111.23 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -33.91 62.81 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.33 -24.27 42.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.245 1.384 . . . . 0.0 112.289 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -55.26 -35.69 65.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.007 0.821 . . . . 0.0 111.697 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.86 -32.42 72.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.95 0.9 . . . . 0.0 112.785 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -80.73 -33.71 34.98 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.415 1.486 . . . . 0.0 111.716 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.2 mt -76.41 -63.0 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.125 0.97 . . . . 0.0 111.103 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -80.27 -0.76 37.86 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.182 1.393 . . . . 0.0 113.247 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 56.91 53.78 7.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.28 2.632 . . . . 0.0 113.433 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.1 mt -89.87 -35.32 15.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.497 1.519 . . . . 0.0 112.911 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.267 0 C-N-CA 127.729 2.411 . . . . 0.0 113.751 -171.074 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -134.86 87.99 2.39 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.726 1.611 . . . . 0.0 111.216 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -68.51 152.3 45.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.529 0.732 . . . . 0.0 110.626 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.2 ptm -122.03 160.9 23.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.302 1.441 . . . . 0.0 111.815 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.99 -67.73 2.05 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.093 1.33 . . . . 0.0 112.633 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p -115.34 161.72 18.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.05 1.74 . . . . 0.0 112.173 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.98 -22.77 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 125.834 1.654 . . . . 0.0 114.054 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.97 -9.77 3.9 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.74 1.638 . . . . 0.0 114.604 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.51 176.08 8.03 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.316 1.847 . . . . 0.0 112.21 177.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -93.02 -66.63 0.91 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.074 1.75 . . . . 0.0 112.474 -176.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.02 -40.62 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.286 1.434 . . . . 0.0 112.163 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.09 129.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.211 0.604 . . . . 0.0 110.398 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.79 176.43 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.288 1.835 . . . . 0.0 112.324 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -111.94 171.35 7.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.273 1.829 . . . . 0.0 110.572 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -51.18 -31.09 18.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.808 1.243 . . . . 0.0 113.561 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.26 -52.06 60.23 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.087 1.355 . . . . 0.0 112.689 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.62 -32.11 71.76 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.16 0.984 . . . . 0.0 110.62 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.64 -42.69 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.853 0.861 . . . . 0.0 109.872 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -66.51 -28.83 68.86 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.371 -1.456 . . . . 0.0 113.199 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -77.51 -55.71 5.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.181 0.993 . . . . 0.0 112.553 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -53.46 -38.78 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.276 1.031 . . . . 0.0 111.818 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.1 -29.38 68.56 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -79.3 -28.29 42.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.751 1.221 . . . . 0.0 112.807 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.66 -53.6 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.295 1.038 . . . . 0.0 110.766 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.97 -9.29 59.67 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -56.63 -27.14 57.73 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.97 145.66 42.36 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.377 1.071 . . . . 0.0 112.791 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -110.54 -2.85 16.27 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.47 4.82 52.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.622 1.169 . . . . 0.0 113.061 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pp -74.86 -16.21 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.007 1.723 . . . . 0.0 113.846 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -47.19 116.99 1.56 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.474 1.91 . . . . 0.0 113.072 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.7 t -85.6 132.98 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.722 0.809 . . . . 0.0 110.667 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.89 147.63 18.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.398 1.479 . . . . 0.0 113.458 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -58.57 -36.32 73.76 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.244 1.418 . . . . 0.0 114.533 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 m -60.64 -45.21 94.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.835 1.254 . . . . 0.0 111.57 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.4 m -78.61 -28.16 45.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 111.774 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -56.58 -47.31 79.83 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.342 1.457 . . . . 0.0 113.316 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -32.15 43.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.627 0.771 . . . . 0.0 112.164 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -85.41 -43.37 13.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.335 1.454 . . . . 0.0 111.238 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -55.58 -33.81 64.25 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.26 1.824 . . . . 0.0 112.576 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.96 -40.09 60.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.652 0.781 . . . . 0.0 110.383 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.43 -55.83 10.52 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 113.627 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.0 -49.95 70.21 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.041 0.837 . . . . 0.0 111.377 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -61.31 -34.94 76.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.863 0.865 . . . . 0.0 112.79 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.506 1.048 . . . . 0.0 111.924 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -79.12 -33.79 43.96 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.177 -0.952 . . . . 0.0 111.452 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -19.78 48.51 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.647 . . . . 0.0 112.532 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.61 -19.62 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.55 1.14 . . . . 0.0 112.349 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -121.35 -33.34 3.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.304 1.842 . . . . 0.0 112.341 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.0 p -113.28 -25.27 8.93 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.432 1.493 . . . . 0.0 112.689 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.94 150.12 42.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 124.617 1.103 . . . . 0.0 111.32 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -176.84 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.356 -0.922 . . . . 0.0 113.139 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 54' ' ' PHE . 2.9 p -48.2 -52.8 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.477 1.111 . . . . 0.0 113.848 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' H ' HG12 ' A' ' 53' ' ' VAL . 53.4 m-85 -59.37 -33.86 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.117 1.367 . . . . 0.0 111.918 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -79.92 -50.05 11.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.213 1.005 . . . . 0.0 112.062 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -49.38 -50.01 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.6 1.56 . . . . 0.0 111.35 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.1 88.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.69 -32.63 74.18 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.776 -1.202 . . . . 0.0 113.665 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.13 -66.23 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 123.561 0.745 . . . . 0.0 110.552 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -32.05 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -57.68 -56.57 20.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 126.084 1.754 . . . . 0.0 109.962 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -53.42 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.55 0.34 . . . . 0.0 111.541 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt -51.83 -44.74 63.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.572 0.749 . . . . 0.0 112.339 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.84 -49.81 73.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.401 1.0 . . . . 0.0 113.562 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.48 -22.38 64.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -42.42 62.99 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.176 0.991 . . . . 0.0 112.415 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -94.61 -26.43 16.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.006 0.922 . . . . 0.0 112.562 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.54 12.37 81.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.895 1.236 . . . . 0.0 114.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.05 166.01 29.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.382 1.873 . . . . 0.0 111.755 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -63.0 -33.27 75.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.758 1.223 . . . . 0.0 113.871 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.76 91.19 5.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.073 1.349 . . . . 0.0 111.311 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.01 152.77 23.2 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.453 1.101 . . . . 0.0 112.706 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.7 m -64.53 154.81 34.93 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.257 0.623 . . . . 0.0 111.016 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -51.12 -45.6 61.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.149 0.98 . . . . 0.0 112.487 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.15 54.5 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.298 0.951 . . . . 0.0 112.995 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.76 -40.32 96.9 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.982 1.391 . . . . 0.0 111.711 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -31.05 61.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.024 0.93 . . . . 0.0 112.917 177.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -56.66 19.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.306 1.042 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.5 ttm -75.92 -38.82 57.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.438 0.695 . . . . 0.0 112.024 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.62 -48.73 71.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.602 -0.713 . . . . 0.0 111.274 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.66 -40.88 41.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.808 1.243 . . . . 0.0 112.783 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -73.43 -51.47 17.13 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.673 0.789 . . . . 0.0 111.084 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -31.0 68.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.088 0.955 . . . . 0.0 113.271 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -54.91 26.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.377 2.271 . . . . 0.0 110.616 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -20.08 61.24 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.211 1.004 . . . . 0.0 112.753 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.37 -39.69 11.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.572 1.549 . . . . 0.0 112.861 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 tp -47.43 -57.04 5.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.335 1.454 . . . . 0.0 110.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -13.99 16.73 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -69.1 -44.31 72.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.611 1.964 . . . . 0.0 112.374 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.18 -48.58 12.93 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.607 0.717 . . . . 0.0 110.252 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.28 -17.09 63.31 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.86 1.664 . . . . 0.0 113.257 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -47.07 -34.64 6.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.148 2.179 . . . . 0.0 113.508 179.082 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -62.61 1.7 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.63 -25.86 65.95 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -57.31 -54.87 41.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.432 1.093 . . . . 0.0 111.145 175.196 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.2 t70 47.89 32.58 2.83 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 125.475 1.51 . . . . 0.0 114.494 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -169.1 2.97 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.167 2.187 . . . . 0.0 112.233 -171.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.8 m -62.95 147.93 49.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.218 1.407 . . . . 0.0 111.218 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -49.72 -29.14 7.05 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.428 1.013 . . . . 0.0 113.723 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -25.26 6.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.893 1.677 . . . . 0.0 112.034 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -57.76 -59.48 5.16 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 110.198 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.78 -38.87 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.662 0.785 . . . . 0.0 111.358 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.73 -49.4 77.87 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.119 0.968 . . . . 0.0 111.859 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -74.22 -27.06 60.61 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.817 -1.087 . . . . 0.0 111.977 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -27.17 52.91 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.968 1.713 . . . . 0.0 111.529 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt -54.3 -33.66 59.26 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.99 0.916 . . . . 0.0 112.072 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -31.03 71.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.005 0.922 . . . . 0.0 113.473 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 tmmt? -90.67 -24.82 20.35 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.691 2.397 . . . . 0.0 112.092 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.4 mt -77.56 -66.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.958 1.303 . . . . 0.0 109.932 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -85.39 6.28 27.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.142 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 53.24 49.7 19.29 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.575 2.35 . . . . 0.0 113.505 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.5 -20.88 27.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.898 1.679 . . . . 0.0 113.062 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.192 1.797 . . . . 0.0 113.051 -178.301 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -143.13 157.96 44.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.377 1.471 . . . . 0.0 111.713 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -156.2 149.18 24.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.451 1.501 . . . . 0.0 110.822 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.8 mtt -120.29 153.43 36.4 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.146 1.378 . . . . 0.0 109.749 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.3 -152.84 10.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.361 0.981 . . . . 0.0 112.024 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.12 165.06 2.71 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.752 1.221 . . . . 0.0 111.338 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.22 -27.17 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.38 -46.28 1.1 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 126.348 1.928 . . . . 0.0 113.386 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.76 -168.47 1.22 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.997 1.319 . . . . 0.0 111.645 174.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -128.54 -84.8 0.57 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.826 2.05 . . . . 0.0 109.509 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 -38.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.363 1.065 . . . . 0.0 112.658 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -59.95 109.89 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.298 1.439 . . . . 0.0 112.305 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.97 177.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.219 1.807 . . . . 0.0 112.055 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.4 p -116.76 179.86 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.623 1.969 . . . . 0.0 110.749 174.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -49.41 -29.97 7.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.41 1.084 . . . . 0.0 113.552 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -52.7 -57.21 10.83 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.979 1.711 . . . . 0.0 112.621 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -43.42 98.91 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.217 1.007 . . . . 0.0 110.542 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.89 -49.9 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -53.87 -43.1 69.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.585 1.154 . . . . 0.0 111.979 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -65.14 -53.09 50.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.407 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -48.15 -49.52 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.917 1.687 . . . . 0.0 111.929 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.91 -35.46 61.67 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -74.76 -24.28 58.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 114.148 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -69.41 -49.71 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.517 1.527 . . . . 0.0 110.675 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.56 -11.68 53.48 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -56.74 -25.35 54.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.223 1.409 . . . . 0.0 114.11 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.77 137.8 35.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.697 1.199 . . . . 0.0 112.524 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -102.2 7.28 40.89 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.799 1.64 . . . . 0.0 113.713 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -97.64 11.08 38.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.398 1.879 . . . . 0.0 113.286 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -92.63 -8.55 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.541 1.937 . . . . 0.0 113.173 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 p -45.42 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.325 2.25 . . . . 0.0 113.12 -174.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.84 133.82 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.933 0.893 . . . . 0.0 109.9 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.09 143.95 54.45 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.679 1.191 . . . . 0.0 112.59 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -36.31 81.34 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -59.9 -43.03 95.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.329 1.052 . . . . 0.0 111.494 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -84.53 -23.0 29.95 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.477 1.111 . . . . 0.0 112.647 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.07 -45.51 64.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.702 1.201 . . . . 0.0 112.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -50.27 -35.56 27.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.312 1.045 . . . . 0.0 113.213 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -86.25 -40.4 15.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.57 1.548 . . . . 0.0 111.714 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.69 61.31 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 112.607 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.6 -41.7 70.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.02 0.928 . . . . 0.0 110.998 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -66.87 -57.24 7.37 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.606 1.562 . . . . 0.0 112.166 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.81 -51.34 61.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.378 0.671 . . . . 0.0 111.092 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -60.8 -37.64 82.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.901 0.88 . . . . 0.0 113.17 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -33.69 66.48 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.587 1.085 . . . . 0.0 112.541 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.81 -39.42 43.86 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.466 -0.772 . . . . 0.0 111.049 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -17.15 5.02 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mm -72.19 -23.92 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.643 1.177 . . . . 0.0 112.423 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 -27.83 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.407 1.483 . . . . 0.0 113.751 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.7 p -108.42 -27.97 9.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.944 1.297 . . . . 0.0 111.79 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.67 145.29 40.0 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 124.559 1.076 . . . . 0.0 111.12 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -83.45 175.79 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.39 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -49.63 -46.56 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.657 1.583 . . . . 0.0 113.541 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.55 -24.76 67.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.892 0.877 . . . . 0.0 113.243 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -87.97 -50.4 6.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.582 1.553 . . . . 0.0 112.2 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.83 -50.19 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.846 1.657 . . . . 0.0 112.586 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.39 77.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.68 -42.11 82.95 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.236 -0.915 . . . . 0.0 111.653 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.02 -63.33 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.99 68.8 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -62.66 -54.12 44.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.631 1.572 . . . . 0.0 110.61 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.84 -52.46 41.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.037 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.99 -44.26 70.71 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.02 -50.68 72.39 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.174 -0.954 . . . . 0.0 112.937 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.73 -25.85 62.23 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.26 -25.77 64.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.587 1.555 . . . . 0.0 112.577 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -30.19 8.3 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.582 1.553 . . . . 0.0 113.43 175.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.21 77.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.137 0.875 . . . . 0.0 114.235 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -148.3 179.25 7.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.777 1.631 . . . . 0.0 112.218 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -41.71 51.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.767 1.227 . . . . 0.0 113.861 175.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -95.02 73.8 3.46 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.022 1.329 . . . . 0.0 111.245 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.8 166.86 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.638 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.84 149.13 41.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.91 -38.89 62.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.546 0.738 . . . . 0.0 112.278 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.67 97.1 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.077 0.846 . . . . 0.0 113.811 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -72.98 -45.16 59.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.374 1.087 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -49.04 -34.29 13.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.604 1.561 . . . . 0.0 112.577 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -50.03 -59.9 3.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.636 1.574 . . . . 0.0 113.102 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.21 -38.89 55.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.592 0.757 . . . . 0.0 112.192 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 tp -54.5 -46.31 73.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 123.322 0.649 . . . . 0.0 110.964 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -51.84 -39.86 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.853 1.261 . . . . 0.0 112.399 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -74.17 -48.35 29.78 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.495 1.118 . . . . 0.0 111.508 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.19 83.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.216 1.006 . . . . 0.0 113.38 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -49.99 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.876 2.07 . . . . 0.0 110.25 174.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -21.2 63.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.1 mt -92.19 -35.63 13.73 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.083 1.353 . . . . 0.0 113.671 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.6 tp -50.74 -58.71 5.25 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.409 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -18.16 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.679 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -72.27 -49.81 31.95 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.964 2.106 . . . . 0.0 112.766 -178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.41 -48.48 27.49 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.553 1.141 . . . . 0.0 111.998 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.82 -15.07 63.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.271 1.029 . . . . 0.0 112.508 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -33.8 1.83 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.874 2.07 . . . . 0.0 114.426 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -62.35 1.82 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.571 1.548 . . . . 0.0 111.979 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.91 65.89 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -59.02 -54.75 43.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.674 1.189 . . . . 0.0 110.796 175.029 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 48.94 35.78 7.28 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.961 1.305 . . . . 0.0 113.585 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -160.87 -169.76 2.5 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.417 1.887 . . . . 0.0 112.786 -172.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 m -60.19 147.66 39.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.066 1.347 . . . . 0.0 111.406 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -51.0 -30.23 14.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.228 1.011 . . . . 0.0 113.606 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -25.42 5.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.997 1.719 . . . . 0.0 112.539 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.69 -59.56 4.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.017 1.28 . . . . 0.0 110.162 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.0 mt -80.12 -36.89 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.561 0.745 . . . . 0.0 111.362 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.92 -49.77 76.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.775 0.83 . . . . 0.0 111.848 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -74.78 -23.34 58.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.561 -0.733 . . . . 0.0 112.349 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.429 ' OD1' ' HE3' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -57.78 -23.61 53.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.909 1.686 . . . . 0.0 112.404 175.093 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.9 mt -54.61 -42.49 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.802 -1.187 . . . . 0.0 112.794 174.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -20.08 65.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HE3' ' OD1' ' A' ' 105' ' ' ASP . 2.8 tmmt? -92.44 -16.39 25.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.97 2.108 . . . . 0.0 112.931 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.3 mt -98.41 -68.04 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 125.235 1.414 . . . . 0.0 109.926 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -74.59 -10.4 59.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.803 1.241 . . . . 0.0 112.894 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.3 t30 54.15 60.44 3.59 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.304 1.842 . . . . 0.0 112.623 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -21.61 55.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.06 0.944 . . . . 0.0 113.333 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.928 1.691 . . . . 0.0 112.63 179.734 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 m -140.13 158.4 44.11 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.661 1.584 . . . . 0.0 111.689 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -132.05 106.19 7.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.043 1.737 . . . . 0.0 110.632 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.07 157.47 46.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.815 1.646 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.03 -164.9 22.04 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.865 0.745 . . . . 0.0 113.49 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -67.84 162.34 24.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.653 0.781 . . . . 0.0 111.781 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.825 1.25 . . . . 0.0 113.593 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.61 -52.73 0.82 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.016 1.769 . . . . 0.0 113.051 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -176.44 2.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.036 1.334 . . . . 0.0 112.411 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -124.16 -75.75 0.59 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 111.83 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -147.8 -35.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.284 1.034 . . . . 0.0 112.285 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -61.25 108.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 111.838 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.54 176.71 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.275 1.83 . . . . 0.0 112.178 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -117.5 179.48 4.04 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.261 2.224 . . . . 0.0 110.519 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -28.48 4.88 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.733 1.213 . . . . 0.0 113.764 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -52.29 -57.57 9.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.785 1.234 . . . . 0.0 113.026 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -42.31 98.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.012 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -55.35 -34.84 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.991 0.814 . . . . 0.0 111.179 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.72 -41.97 64.65 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.016 -1.677 . . . . 0.0 112.485 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -68.05 -52.61 33.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.77 0.828 . . . . 0.0 113.089 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.71 -39.47 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.557 1.143 . . . . 0.0 111.868 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -61.29 -34.92 76.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.785 0.72 . . . . 0.0 111.965 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 t -73.3 -33.29 65.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.707 1.203 . . . . 0.0 112.567 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.82 -51.53 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.348 1.059 . . . . 0.0 111.332 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.39 -11.27 58.66 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.12 -21.57 47.1 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.479 1.511 . . . . 0.0 114.375 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -86.5 121.76 29.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.723 1.209 . . . . 0.0 111.764 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -0.19 55.83 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.504 1.522 . . . . 0.0 113.518 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.14 6.32 19.63 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.027 1.731 . . . . 0.0 113.935 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -88.93 -8.18 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 127.022 2.129 . . . . 0.0 113.342 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.2 p -51.11 116.37 1.98 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.036 1.734 . . . . 0.0 113.257 -170.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.43 129.14 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.709 0.804 . . . . 0.0 109.793 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 135.4 53.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 111.828 175.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.4 m -51.68 -25.79 7.91 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.106 1.362 . . . . 0.0 114.521 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 m -68.02 -61.61 1.78 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.148 1.379 . . . . 0.0 111.367 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -70.74 -21.59 62.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 0.0 112.368 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -50.95 -42.46 59.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.705 1.202 . . . . 0.0 113.512 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -53.38 -32.72 50.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.005 0.922 . . . . 0.0 112.64 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -86.65 -42.68 13.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.21 1.804 . . . . 0.0 111.67 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.68 59.7 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.49 1.116 . . . . 0.0 112.376 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.83 -42.49 65.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.102 0.961 . . . . 0.0 111.194 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -65.32 -55.91 15.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.477 1.511 . . . . 0.0 112.652 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.35 -49.83 71.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.201 0.601 . . . . 0.0 110.97 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -62.12 -34.15 75.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -29.36 66.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.723 1.147 . . . . 0.0 112.072 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.24 -39.38 40.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.514 1.126 . . . . 0.0 111.012 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -16.73 4.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mm -77.08 -20.24 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.321 1.048 . . . . 0.0 112.7 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -116.73 -29.87 5.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.771 1.628 . . . . 0.0 114.112 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -116.27 -22.86 8.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.752 1.221 . . . . 0.0 113.026 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 133.59 23.01 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 124.34 0.972 . . . . 0.0 111.26 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -70.29 176.25 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.622 -0.789 . . . . 0.0 111.623 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.31 -51.93 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 127.307 2.243 . . . . 0.0 112.007 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.17 -30.88 66.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.009 0.924 . . . . 0.0 111.8 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -80.16 -48.35 13.3 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.32 1.048 . . . . 0.0 113.014 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -50.66 -50.6 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 121.356 1.889 . . . . 0.0 111.769 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.9 85.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.01 -38.0 78.23 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.373 -0.823 . . . . 0.0 111.584 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.14 -68.11 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.476 1.489 . . . . 0.0 110.655 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.14 62.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.4 -51.95 66.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.847 1.659 . . . . 0.0 110.464 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.77 -53.83 53.32 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.674 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.01 -42.33 62.92 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.183 0.901 . . . . 0.0 112.559 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -62.38 -48.74 78.42 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.039 -1.038 . . . . 0.0 112.669 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.78 -21.71 63.39 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.63 -47.64 79.26 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.528 1.058 . . . . 0.0 112.172 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.74 24.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.364 1.065 . . . . 0.0 112.915 175.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.62 15.16 68.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.895 1.236 . . . . 0.0 113.804 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.53 175.89 13.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.956 1.702 . . . . 0.0 111.596 -172.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.59 -26.95 61.89 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 114.41 175.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 67.73 4.34 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.482 1.913 . . . . 0.0 110.963 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.59 142.7 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.736 1.215 . . . . 0.0 111.228 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -60.45 155.93 17.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.347 0.659 . . . . 0.0 111.465 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.36 -47.18 56.22 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.395 0.998 . . . . 0.0 112.423 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.78 17.15 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.73 -0.483 . . . . 0.0 112.09 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -57.31 -36.47 71.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.464 1.132 . . . . 0.0 113.039 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -60.21 -28.26 67.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.191 1.396 . . . . 0.0 112.943 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.05 -55.27 26.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.192 1.397 . . . . 0.0 111.693 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -70.54 -38.13 74.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 119.278 -0.392 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tp -54.45 -54.11 45.18 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.598 0.759 . . . . 0.0 111.282 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.72 -36.41 57.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.93 1.292 . . . . 0.0 112.798 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -73.29 -50.59 21.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.052 0.541 . . . . 0.0 111.129 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.63 70.82 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.549 1.139 . . . . 0.0 113.527 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -51.02 71.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.934 2.093 . . . . 0.0 110.901 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -59.7 -23.31 63.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.533 1.133 . . . . 0.0 112.697 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.8 mt -92.35 -36.27 13.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.16 1.384 . . . . 0.0 113.009 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -51.39 -56.3 13.92 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.597 1.559 . . . . 0.0 110.485 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -19.17 20.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 120.184 -0.607 . . . . 0.0 112.578 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -61.82 -55.91 24.92 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.572 1.549 . . . . 0.0 112.283 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -66.22 -48.34 70.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.117 1.367 . . . . 0.0 111.831 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.3 -15.52 63.6 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.616 1.166 . . . . 0.0 113.932 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.477 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 32.6 t -51.39 -28.71 13.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.209 1.804 . . . . 0.0 113.199 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -69.92 0.13 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.221 1.408 . . . . 0.0 113.337 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.01 -20.18 63.28 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -54.06 -54.75 34.99 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.405 1.482 . . . . 0.0 111.437 175.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.2 t70 50.5 30.23 4.55 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.668 1.587 . . . . 0.0 114.619 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -156.16 -168.38 2.73 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.859 2.063 . . . . 0.0 112.742 -171.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -65.03 148.76 51.06 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.081 1.352 . . . . 0.0 111.152 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.88 -27.56 7.73 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -52.98 -23.74 7.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.503 1.521 . . . . 0.0 112.651 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.3 -59.42 5.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.725 1.148 . . . . 0.0 108.955 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.22 -41.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.746 1.218 . . . . 0.0 111.759 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.36 -46.25 86.64 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.665 0.786 . . . . 0.0 111.228 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 t -74.84 -29.97 61.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.189 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -24.65 11.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.664 1.575 . . . . 0.0 112.806 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.5 mt -55.97 -40.15 72.83 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.112 -0.992 . . . . 0.0 112.047 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -22.94 66.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.3 -18.15 23.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.176 2.59 . . . . 0.0 113.056 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.41 -67.67 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 125.295 1.438 . . . . 0.0 109.688 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.2 -12.12 59.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.638 1.175 . . . . 0.0 113.423 -174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 57.48 66.9 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.033 2.133 . . . . 0.0 112.911 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.37 -52.84 6.19 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.368 1.067 . . . . 0.0 112.225 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.304 0 C-N-CA 127.483 2.313 . . . . 0.0 114.736 -177.045 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -115.11 25.29 11.0 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.92 1.688 . . . . 0.0 113.826 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -120.21 -50.55 2.24 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.213 1.805 . . . . 0.0 112.54 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.47 179.24 4.13 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.356 1.462 . . . . 0.0 112.293 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.18 174.58 50.49 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.834 1.207 . . . . 0.0 112.988 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 m -82.32 172.63 12.88 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.68 142.49 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.937 0.895 . . . . 0.0 110.34 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.66 57.8 4.49 Favored Glycine 0 N--CA 1.476 1.352 0 C-N-CA 124.979 1.276 . . . . 0.0 114.156 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.42 -179.3 3.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.319 2.247 . . . . 0.0 111.217 -175.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -135.82 -85.62 0.37 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.151 1.38 . . . . 0.0 110.936 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -160.87 -48.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.922 1.689 . . . . 0.0 111.212 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -62.1 110.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.349 1.46 . . . . 0.0 112.736 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -146.23 175.81 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.455 1.902 . . . . 0.0 111.775 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -113.45 -179.26 3.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.344 1.858 . . . . 0.0 110.375 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.54 -29.42 6.87 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.333 1.453 . . . . 0.0 113.474 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -51.53 -61.4 2.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.806 1.642 . . . . 0.0 113.849 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.01 83.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.417 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.18 -30.28 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 118.88 0.763 . . . . 0.0 111.36 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -50.4 15.28 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.123 -1.611 . . . . 0.0 111.719 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.85 -51.85 67.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.06 -40.8 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.031 0.832 . . . . 0.0 111.641 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.73 -28.99 70.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.783 0.72 . . . . 0.0 112.901 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 t -78.12 -30.97 49.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 0.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.0 -54.77 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.369 1.067 . . . . 0.0 111.005 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -56.32 -27.98 57.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.633 1.173 . . . . 0.0 114.093 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.81 140.59 42.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.577 1.151 . . . . 0.0 112.582 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 5.8 21.08 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.784 1.234 . . . . 0.0 113.853 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -97.18 3.84 51.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.74 2.016 . . . . 0.0 113.479 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -74.71 -7.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.681 1.592 . . . . 0.0 113.402 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -51.38 104.23 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.152 1.781 . . . . 0.0 112.706 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -75.57 138.71 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 110.615 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.8 148.4 29.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.891 1.277 . . . . 0.0 113.244 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -35.88 78.92 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.819 1.648 . . . . 0.0 114.088 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.7 m -61.1 -43.4 98.93 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.612 1.165 . . . . 0.0 111.432 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.0 m -83.06 -24.44 32.75 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.126 0.97 . . . . 0.0 112.33 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.25 -43.67 64.47 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.698 1.199 . . . . 0.0 112.95 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.55 -43.05 56.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -80.59 -38.51 29.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.618 1.167 . . . . 0.0 111.524 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -55.19 -34.92 64.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.784 1.234 . . . . 0.0 112.515 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.1 -42.62 66.13 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.601 0.76 . . . . 0.0 110.815 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -65.3 -59.67 3.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.745 1.618 . . . . 0.0 112.377 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.55 -50.74 62.31 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.137 0.426 . . . . 0.0 111.713 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -60.13 -37.73 80.95 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.8 0.84 . . . . 0.0 112.446 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -31.81 69.69 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.77 1.168 . . . . 0.0 112.438 175.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -78.73 -37.6 40.95 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.083 -1.011 . . . . 0.0 111.44 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -55.29 -18.09 5.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mm -73.84 -19.09 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.459 1.103 . . . . 0.0 112.456 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -121.67 -34.99 3.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.894 2.077 . . . . 0.0 111.858 -174.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -112.77 -28.25 7.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.266 1.426 . . . . 0.0 112.339 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.43 148.07 46.57 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 124.938 1.256 . . . . 0.0 111.721 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -84.53 175.0 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.149 1.38 . . . . 0.0 112.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 p -48.81 -51.41 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.396 1.479 . . . . 0.0 113.353 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -61.11 -25.67 67.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.883 0.873 . . . . 0.0 112.507 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -83.6 -48.91 9.72 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.417 1.087 . . . . 0.0 112.893 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mm -48.18 -49.67 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.522 1.51 . . . . 0.0 111.695 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.22 90.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.101 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.39 -33.34 75.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.452 -1.405 . . . . 0.0 112.591 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.06 -66.42 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 123.898 0.879 . . . . 0.0 109.999 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -35.18 65.25 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -58.24 -47.86 82.22 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.689 1.996 . . . . 0.0 111.048 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -56.25 17.68 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.246 0.618 . . . . 0.0 110.272 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.532 0.733 . . . . 0.0 112.804 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -50.54 70.33 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 175.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.7 mt -72.6 -30.53 64.44 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.52 -33.87 71.92 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.557 1.143 . . . . 0.0 111.882 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -32.01 15.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.895 1.278 . . . . 0.0 113.436 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 16.98 78.02 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.317 0.961 . . . . 0.0 114.214 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -151.15 176.03 11.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.347 1.859 . . . . 0.0 111.892 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -77.17 -39.87 47.43 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.77 1.628 . . . . 0.0 113.919 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.67 71.39 7.56 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.156 1.782 . . . . 0.0 111.269 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.34 154.92 4.15 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -59.44 155.67 14.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.111 0.965 . . . . 0.0 111.27 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.54 -42.37 64.33 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.23 -52.75 21.15 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.143 0.878 . . . . 0.0 113.437 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.57 -40.04 95.59 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.933 -1.333 . . . . 0.0 112.063 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -54.31 -28.67 43.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.059 0.944 . . . . 0.0 113.274 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -57.66 11.73 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.812 1.245 . . . . 0.0 112.126 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttm -76.29 -39.36 54.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.57 0.748 . . . . 0.0 111.888 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.83 -45.87 74.52 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.473 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -52.03 -39.22 59.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.135 . . . . 0.0 112.765 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -74.53 -48.64 25.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.317 0.647 . . . . 0.0 111.21 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.34 -31.43 69.18 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.182 -0.949 . . . . 0.0 112.734 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -63.26 -53.71 48.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.902 2.081 . . . . 0.0 111.374 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 p -61.24 -21.97 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.55 -34.46 14.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.794 2.038 . . . . 0.0 113.406 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.0 -58.65 6.25 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.176 1.39 . . . . 0.0 110.009 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -18.72 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.415 -0.803 . . . . 0.0 112.758 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -53.43 46.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.649 1.579 . . . . 0.0 112.551 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -70.31 -46.25 64.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.737 1.215 . . . . 0.0 111.564 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.8 -18.42 64.85 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.429 1.091 . . . . 0.0 113.593 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.9 t -44.13 -36.04 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 128.103 2.561 . . . . 0.0 113.338 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -64.92 0.68 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.143 1.377 . . . . 0.0 112.029 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.1 60.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.44 -45.08 46.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.59 1.156 . . . . 0.0 111.5 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 46.23 30.95 1.09 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.636 1.974 . . . . 0.0 113.984 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.41 -167.04 1.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.156 2.182 . . . . 0.0 111.468 -167.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 157.66 25.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.378 1.071 . . . . 0.0 111.152 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -54.67 -27.82 42.9 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.419 -0.801 . . . . 0.0 112.792 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -26.96 12.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.826 1.651 . . . . 0.0 111.982 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -59.78 4.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.464 1.483 . . . . 0.0 109.434 175.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.28 -40.58 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 O-C-N 121.697 -0.627 . . . . 0.0 112.046 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.72 -47.8 81.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.547 0.739 . . . . 0.0 111.718 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -74.77 -31.67 61.83 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.113 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -54.71 -23.56 18.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.597 1.544 . . . . 0.0 112.837 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.98 -35.68 67.02 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.854 0.862 . . . . 0.0 112.077 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -63.28 -23.86 67.61 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.863 0.865 . . . . 0.0 112.726 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -93.86 -17.41 23.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.039 2.136 . . . . 0.0 113.276 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.91 -67.99 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.807 1.643 . . . . 0.0 109.941 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -81.37 -10.82 59.46 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.565 1.146 . . . . 0.0 112.521 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.7 t30 59.76 70.59 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.05 2.54 . . . . 0.0 113.601 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.97 -23.92 16.06 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.306 1.042 . . . . 0.0 113.709 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.976 1.71 . . . . 0.0 112.494 175.548 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -143.09 168.67 19.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.847 1.659 . . . . 0.0 111.611 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 165.68 10.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.067 1.347 . . . . 0.0 112.167 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.5 ptp -146.34 160.94 41.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.499 1.919 . . . . 0.0 111.56 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.22 10.53 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.701 1.619 . . . . 0.0 114.547 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -137.93 170.96 15.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.897 2.479 . . . . 0.0 111.2 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.71 -28.78 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.347 1.459 . . . . 0.0 113.898 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.83 -35.26 2.42 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.25 1.881 . . . . 0.0 113.855 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -172.07 3.83 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.643 1.577 . . . . 0.0 111.528 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.45 -84.15 0.65 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.923 1.689 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.15 -30.6 0.38 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.816 1.246 . . . . 0.0 112.67 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.35 110.42 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.168 1.387 . . . . 0.0 112.05 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.19 174.25 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.655 1.982 . . . . 0.0 112.215 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.7 p -113.82 177.83 4.5 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.607 1.963 . . . . 0.0 110.719 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.22 -28.58 4.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.031 1.332 . . . . 0.0 113.863 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -55.49 -56.18 23.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.541 1.064 . . . . 0.0 112.895 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -42.75 86.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.7 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -55.37 -31.67 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 0.585 . . . . 0.0 110.754 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.01 -48.85 22.04 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.46 -1.4 . . . . 0.0 111.515 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.23 -52.85 63.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.433 1.093 . . . . 0.0 111.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.43 -45.2 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 0.0 111.222 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.02 -41.55 88.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.745 0.702 . . . . 0.0 109.89 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.21 -32.5 71.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.635 1.174 . . . . 0.0 113.555 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.48 -51.3 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.048 0.939 . . . . 0.0 110.773 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -16.91 57.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -54.6 -27.55 40.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.186 1.394 . . . . 0.0 114.113 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -76.53 139.21 40.66 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.805 1.242 . . . . 0.0 112.945 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 -14.33 18.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.817 1.247 . . . . 0.0 114.324 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -79.14 -2.34 40.3 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.13 1.372 . . . . 0.0 113.734 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.75 -15.47 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.462 1.505 . . . . 0.0 114.194 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 t -39.06 105.22 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.617 2.367 . . . . 0.0 113.605 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.04 137.24 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.458 1.503 . . . . 0.0 111.522 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.0 148.27 50.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.296 1.038 . . . . 0.0 112.608 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.36 -45.79 91.56 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.333 1.053 . . . . 0.0 113.559 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.9 m -58.34 -45.56 87.91 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.209 -0.932 . . . . 0.0 111.01 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -70.66 -32.16 69.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.16 1.384 . . . . 0.0 112.585 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -54.46 -48.65 71.51 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.98 1.312 . . . . 0.0 111.982 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -52.96 -30.23 33.57 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.029 0.932 . . . . 0.0 113.057 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.17 -50.91 7.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.483 1.913 . . . . 0.0 111.241 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.54 54.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.432 1.493 . . . . 0.0 112.908 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.75 -42.88 62.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.241 1.416 . . . . 0.0 111.552 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -64.85 -58.0 7.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.444 1.498 . . . . 0.0 112.295 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -56.98 -47.13 81.51 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.605 0.362 . . . . 0.0 111.185 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -57.16 -45.26 83.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 117.881 -1.056 . . . . 0.0 111.987 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.39 66.03 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.727 1.149 . . . . 0.0 112.386 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -37.0 30.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.363 1.465 . . . . 0.0 112.209 175.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.18 -18.32 25.02 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.686 -1.259 . . . . 0.0 112.981 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mm -70.29 -24.54 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.56 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -120.37 -23.58 6.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.762 1.225 . . . . 0.0 113.776 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 p -113.71 -28.46 7.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.735 1.214 . . . . 0.0 113.024 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.47 145.09 30.03 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 124.842 1.21 . . . . 0.0 110.452 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -83.2 179.87 7.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.097 -1.051 . . . . 0.0 112.922 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.58 -52.08 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.321 1.848 . . . . 0.0 113.449 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -59.58 -32.31 70.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.147 1.379 . . . . 0.0 112.352 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.1 -49.18 10.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.518 1.527 . . . . 0.0 111.657 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -49.43 -49.94 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.667 1.587 . . . . 0.0 111.172 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.064 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.1 -35.95 69.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.913 -1.117 . . . . 0.0 111.239 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.22 -61.49 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.611 1.164 . . . . 0.0 111.073 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -30.44 69.29 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -61.17 -56.15 24.02 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.646 1.578 . . . . 0.0 111.751 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.88 -45.8 82.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.11 0.413 . . . . 0.0 110.732 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.48 -45.91 76.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.262 1.025 . . . . 0.0 111.773 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.95 -49.85 73.11 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.1 -26.18 66.57 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.821 -0.549 . . . . 0.0 112.295 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.12 -37.52 74.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.889 1.276 . . . . 0.0 110.534 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.59 -31.47 18.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.221 0.609 . . . . 0.0 112.421 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.08 17.07 69.47 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.408 1.004 . . . . 0.0 114.517 -173.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.1 164.8 36.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 112.451 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -64.4 -37.7 88.44 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.844 1.658 . . . . 0.0 114.053 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 84.19 7.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.721 1.608 . . . . 0.0 110.279 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 155.86 30.35 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.78 149.13 50.65 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.756 0.822 . . . . 0.0 110.22 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -52.41 -42.03 63.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.915 0.779 . . . . 0.0 112.875 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.72 48.82 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.058 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -64.69 -41.18 96.23 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.211 -1.17 . . . . 0.0 111.498 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -54.52 -30.99 55.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.067 1.747 . . . . 0.0 112.766 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -56.26 24.24 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.153 1.381 . . . . 0.0 112.018 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -74.74 -35.99 62.62 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.591 0.357 . . . . 0.0 111.636 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 tp -54.53 -48.64 71.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.338 0.655 . . . . 0.0 111.574 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -51.71 -38.03 53.41 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.42 1.088 . . . . 0.0 112.914 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -43.89 37.78 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.103 0.961 . . . . 0.0 112.184 176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.14 71.75 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.858 -1.151 . . . . 0.0 112.984 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -60.94 -51.3 69.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.267 2.227 . . . . 0.0 111.01 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 p -63.98 -20.25 65.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 mt -91.78 -38.06 12.6 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.159 1.384 . . . . 0.0 112.745 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.1 tp -47.03 -61.05 2.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.006 1.323 . . . . 0.0 110.799 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -14.63 18.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -70.31 -42.27 72.2 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.364 1.866 . . . . 0.0 113.001 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.55 -48.77 11.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.718 0.771 . . . . 0.0 109.83 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.48 -14.18 38.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.2 1.8 . . . . 0.0 112.433 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 p -50.26 -28.76 8.24 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.561 1.944 . . . . 0.0 114.135 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -62.24 1.85 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.496 1.118 . . . . 0.0 111.655 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.64 -9.9 59.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 97' ' ' CYS . 7.7 ptmt -49.29 -39.81 32.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.481 1.112 . . . . 0.0 112.539 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 t70 45.38 24.55 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 129.208 3.003 . . . . 0.0 115.187 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.46 ' H ' ' HG3' ' A' ' 95' ' ' LYS . 1.3 t -166.0 -164.96 0.75 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.661 2.384 . . . . 0.0 111.551 -165.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.55 165.99 21.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.885 1.274 . . . . 0.0 112.037 175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.3 -30.54 62.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.593 -1.317 . . . . 0.0 111.976 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -24.64 7.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.855 1.662 . . . . 0.0 113.05 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -59.47 5.39 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.245 1.839 . . . . 0.0 109.611 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 mt -76.73 -41.29 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.549 0.74 . . . . 0.0 110.519 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -58.27 -50.95 71.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.275 1.03 . . . . 0.0 111.899 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -73.56 -32.5 64.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.096 -1.43 . . . . 0.0 112.888 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.63 -26.3 21.56 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.196 1.817 . . . . 0.0 112.085 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.7 mt -52.7 -36.56 57.53 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.292 0.637 . . . . 0.0 112.316 175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 112.552 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -35.7 67.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 112.136 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.2 mt -77.11 -62.7 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.263 1.025 . . . . 0.0 111.194 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.22 0.21 37.68 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.542 1.537 . . . . 0.0 113.459 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 56.26 55.64 6.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 128.074 2.55 . . . . 0.0 113.231 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.78 -39.37 11.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.392 1.477 . . . . 0.0 112.715 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.403 2.281 . . . . 0.0 112.379 -175.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.096 -0.401 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.91 158.96 15.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.915 1.686 . . . . 0.0 112.428 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.95 137.9 13.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.174 1.79 . . . . 0.0 111.311 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.3 mtm -88.81 90.79 8.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.234 1.414 . . . . 0.0 110.798 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.66 -90.69 0.12 Allowed Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.81 1.195 . . . . 0.0 112.183 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 164.97 25.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.958 1.303 . . . . 0.0 111.789 177.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.28 -24.79 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.282 -0.886 . . . . 0.0 111.824 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.65 32.78 26.49 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.7 1.143 . . . . 0.0 113.796 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.48 174.92 5.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.193 2.197 . . . . 0.0 111.159 -175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -130.99 -87.31 0.49 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.679 1.592 . . . . 0.0 110.907 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.45 -50.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.71 1.604 . . . . 0.0 111.72 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tp -60.74 109.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.615 1.566 . . . . 0.0 112.617 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.94 176.54 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.674 1.99 . . . . 0.0 111.622 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.5 p -114.34 -177.61 3.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.279 2.232 . . . . 0.0 110.99 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -27.1 5.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.303 1.041 . . . . 0.0 113.799 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -50.98 -61.3 2.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.708 1.603 . . . . 0.0 112.979 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -41.05 96.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 117.55 -1.214 . . . . 0.0 109.965 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.25 -35.62 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 119.527 1.058 . . . . 0.0 111.681 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -74.88 -35.0 62.31 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 119.894 -1.754 . . . . 0.0 113.088 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.34 -51.28 25.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.539 1.135 . . . . 0.0 112.712 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.48 -44.09 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.256 1.422 . . . . 0.0 112.212 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.45 -35.67 68.15 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.964 0.802 . . . . 0.0 111.682 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -67.14 -28.82 68.44 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.361 1.464 . . . . 0.0 113.56 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.12 -48.78 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.524 1.13 . . . . 0.0 110.747 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -11.96 57.89 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -56.46 -26.75 54.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.966 1.307 . . . . 0.0 114.141 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.29 124.69 30.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 112.368 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -86.65 -8.08 57.77 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -80.56 6.94 11.11 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.119 1.368 . . . . 0.0 113.854 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -83.78 -12.06 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 126.84 2.056 . . . . 0.0 113.536 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 p -43.34 114.28 0.61 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.7 2.4 . . . . 0.0 113.977 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -78.59 132.8 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.035 0.934 . . . . 0.0 110.534 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.84 145.97 38.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.477 . . . . 0.0 112.84 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -61.15 -42.41 98.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.18 -46.19 90.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.576 1.15 . . . . 0.0 111.504 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.8 m -73.4 -25.09 60.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.028 1.731 . . . . 0.0 112.78 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.82 -45.12 95.19 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.532 1.533 . . . . 0.0 112.852 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -51.7 -31.03 24.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.656 0.782 . . . . 0.0 111.998 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -44.37 11.68 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.606 1.962 . . . . 0.0 112.379 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -32.49 64.96 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.188 0.995 . . . . 0.0 112.042 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.04 -41.44 62.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.274 1.03 . . . . 0.0 111.052 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -63.83 -61.3 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.42 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.34 -47.51 72.47 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.264 0.483 . . . . 0.0 111.461 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -61.76 -37.75 85.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.804 0.841 . . . . 0.0 113.132 177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.6 mtt -58.06 -33.87 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.795 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.99 -38.9 61.52 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.384 -0.822 . . . . 0.0 111.207 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -18.34 9.4 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.8 mm -73.28 -18.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.173 0.989 . . . . 0.0 112.588 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -122.27 -34.65 3.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.669 1.988 . . . . 0.0 112.138 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 p -113.02 -26.21 8.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.166 1.386 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.34 144.43 39.12 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 124.894 1.235 . . . . 0.0 111.84 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.81 175.87 9.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.251 1.02 . . . . 0.0 112.922 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -51.75 -48.64 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.172 1.389 . . . . 0.0 112.095 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.64 -26.57 68.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.705 0.802 . . . . 0.0 112.05 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.3 -45.49 13.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.589 1.156 . . . . 0.0 112.678 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mm -51.98 -49.46 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.611 1.551 . . . . 0.0 111.127 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.18 -36.63 78.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.45 -42.09 83.65 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.422 -0.799 . . . . 0.0 111.574 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.01 -65.04 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.981 0.912 . . . . 0.0 110.953 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -34.2 65.35 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.8 -57.12 14.27 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.745 1.618 . . . . 0.0 109.614 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.45 -53.8 20.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.192 -0.433 . . . . 0.0 111.181 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.47 -44.75 62.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.102 0.961 . . . . 0.0 112.738 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.81 -50.63 72.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.175 0.898 . . . . 0.0 113.407 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mp -69.67 -19.77 63.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.72 -47.55 73.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.283 0.947 . . . . 0.0 112.393 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -85.88 -27.08 25.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.402 1.081 . . . . 0.0 111.822 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.66 15.75 80.51 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.72 1.152 . . . . 0.0 113.895 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.67 165.32 29.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.921 1.688 . . . . 0.0 111.168 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -66.49 -31.21 71.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.155 0.982 . . . . 0.0 113.417 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -85.74 81.61 8.53 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.512 1.525 . . . . 0.0 110.92 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.59 153.08 43.98 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.93 0.892 . . . . 0.0 112.517 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -66.36 152.88 44.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.692 0.397 . . . . 0.0 110.259 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.31 -39.3 60.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.61 0.764 . . . . 0.0 112.308 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 -52.61 52.03 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.243 -0.754 . . . . 0.0 113.075 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.73 -39.24 90.95 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.549 1.674 . . . . 0.0 112.205 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.33 -32.89 62.88 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.525 1.13 . . . . 0.0 112.866 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -52.98 -59.8 4.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.284 1.434 . . . . 0.0 112.651 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.39 -38.27 55.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.108 0.563 . . . . 0.0 111.982 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.93 -50.5 68.7 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 123.555 0.742 . . . . 0.0 111.354 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -50.45 -37.56 38.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.614 1.166 . . . . 0.0 112.639 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -71.14 -54.36 11.31 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.28 1.032 . . . . 0.0 110.881 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -34.0 71.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.405 1.082 . . . . 0.0 113.263 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -50.25 74.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.776 2.03 . . . . 0.0 110.958 175.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -22.07 64.85 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.708 0.803 . . . . 0.0 112.943 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -92.24 -35.71 13.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.324 1.85 . . . . 0.0 112.901 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -52.11 -57.27 10.09 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.717 1.607 . . . . 0.0 110.813 176.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -19.55 22.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -66.55 -49.06 67.7 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.157 1.783 . . . . 0.0 112.556 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.41 -46.78 37.99 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.988 1.315 . . . . 0.0 111.304 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.84 -16.12 63.95 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.759 1.223 . . . . 0.0 113.986 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.47 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 17.6 t -48.79 -32.14 8.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.376 2.271 . . . . 0.0 113.061 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -65.78 0.56 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.912 1.285 . . . . 0.0 112.516 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.34 -22.63 62.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -54.37 -54.78 35.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.466 1.506 . . . . 0.0 111.47 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 48.24 31.75 2.78 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.973 1.709 . . . . 0.0 114.732 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 -168.93 2.95 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.211 2.205 . . . . 0.0 111.844 -171.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 p -62.08 147.92 45.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.072 1.749 . . . . 0.0 111.38 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.34 -28.15 7.45 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 119.709 1.14 . . . . 0.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.35 -23.87 6.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.142 1.777 . . . . 0.0 112.437 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -59.73 4.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 120.239 1.381 . . . . 0.0 109.103 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.84 -39.54 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.317 1.047 . . . . 0.0 111.23 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.47 -46.72 89.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.876 0.87 . . . . 0.0 111.71 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -74.78 -29.46 61.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.3 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -26.94 13.64 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.22 1.373 . . . . 0.0 112.77 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.7 mt -54.02 -38.56 65.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.418 1.087 . . . . 0.0 112.526 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -64.46 -24.43 67.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.482 1.113 . . . . 0.0 113.584 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -93.75 -15.59 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.552 2.341 . . . . 0.0 112.968 175.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.7 mt -95.43 -67.51 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 124.66 1.184 . . . . 0.0 111.069 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -76.86 -12.45 59.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.444 1.098 . . . . 0.0 112.87 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 60.36 69.84 0.66 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.788 2.435 . . . . 0.0 113.385 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -60.81 1.85 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.186 0.994 . . . . 0.0 112.883 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.651 2.38 . . . . 0.0 115.729 179.642 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.401 -0.279 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 t -159.12 99.39 1.5 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.837 1.655 . . . . 0.0 110.771 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.13 164.42 30.64 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.08 1.752 . . . . 0.0 111.575 175.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.2 tpt -143.08 108.91 5.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.793 1.637 . . . . 0.0 110.372 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.75 -83.73 0.17 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.074 1.321 . . . . 0.0 112.617 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -144.69 179.26 7.41 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.039 1.735 . . . . 0.0 111.637 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.64 -30.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.503 -0.748 . . . . 0.0 112.98 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.75 -8.62 9.31 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.474 1.512 . . . . 0.0 115.287 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.61 -177.84 3.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.607 1.963 . . . . 0.0 111.825 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.77 -78.68 0.58 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.56 1.544 . . . . 0.0 110.348 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -151.79 -32.82 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.364 1.066 . . . . 0.0 112.638 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tp -59.1 109.89 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.505 1.522 . . . . 0.0 112.838 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.88 177.63 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.681 1.992 . . . . 0.0 112.364 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.6 p -117.47 -179.87 3.85 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.337 1.855 . . . . 0.0 110.739 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -26.4 7.09 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.493 1.117 . . . . 0.0 113.764 175.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.71 -55.91 26.62 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.989 -1.069 . . . . 0.0 112.818 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -43.0 93.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 117.705 -1.14 . . . . 0.0 109.719 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.66 -44.36 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.183 0.901 . . . . 0.0 110.692 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -69.08 -32.43 71.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.745 -1.222 . . . . 0.0 113.68 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -73.46 -55.28 6.56 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.222 1.009 . . . . 0.0 112.577 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -54.43 -38.72 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.893 1.277 . . . . 0.0 111.639 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -79.99 -25.27 40.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.132 1.373 . . . . 0.0 112.813 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.39 -54.3 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.451 1.1 . . . . 0.0 110.698 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.67 -11.2 59.67 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.299 1.04 . . . . 0.0 113.686 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.36 126.18 30.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.996 1.319 . . . . 0.0 111.394 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.44 -2.59 56.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.56 12.34 1.66 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.996 1.719 . . . . 0.0 114.447 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -99.14 0.7 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.844 2.458 . . . . 0.0 113.716 -175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -45.4 104.27 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.656 1.983 . . . . 0.0 112.621 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.46 136.67 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.35 138.75 58.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.387 0.675 . . . . 0.0 111.19 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -60.58 -33.28 72.49 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -70.16 -44.28 69.14 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.436 -0.79 . . . . 0.0 110.699 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -73.94 -23.71 59.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.442 1.097 . . . . 0.0 113.077 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -52.61 -45.44 66.57 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.512 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.02 -31.56 51.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.56 -43.77 13.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.678 1.591 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -36.63 59.82 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.104 0.962 . . . . 0.0 112.515 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -51.58 -41.87 61.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.985 0.914 . . . . 0.0 111.253 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -62.51 -64.45 0.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.715 1.206 . . . . 0.0 112.33 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.13 -45.31 71.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.157 0.583 . . . . 0.0 111.464 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -59.56 -42.0 91.44 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.138 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.72 65.22 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.496 1.044 . . . . 0.0 112.165 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -81.39 -36.75 29.18 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.918 0.887 . . . . 0.0 112.114 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -22.85 14.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 174.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.55 -16.74 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.136 1.374 . . . . 0.0 112.76 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -29.15 4.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.825 1.25 . . . . 0.0 112.662 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -116.99 -26.5 6.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.675 1.19 . . . . 0.0 112.782 -173.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.94 143.05 37.39 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 125.549 1.547 . . . . 0.0 111.404 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.96 171.87 12.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 124.113 0.965 . . . . 0.0 112.603 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 p -48.97 -47.54 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -62.64 -35.82 80.84 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.52 1.128 . . . . 0.0 110.429 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.93 -48.18 39.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.942 1.297 . . . . 0.0 112.605 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.6 mm -50.42 -51.91 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 120.686 1.584 . . . . 0.0 112.522 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -45.26 79.25 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.01 -37.53 85.25 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.416 -0.803 . . . . 0.0 113.043 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.29 -60.45 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.913 -1.117 . . . . 0.0 111.386 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -31.66 71.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -58.74 -57.07 14.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.894 1.278 . . . . 0.0 109.686 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.22 -45.14 80.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.885 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.91 -39.31 68.65 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.628 1.171 . . . . 0.0 112.577 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -70.58 -50.24 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.057 0.844 . . . . 0.0 113.095 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -67.94 -20.96 65.12 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.263 -0.898 . . . . 0.0 113.001 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -47.13 80.96 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.095 1.758 . . . . 0.0 113.216 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -29.33 51.14 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 111.352 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.84 8.53 87.38 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.92 1.724 . . . . 0.0 114.074 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -156.66 168.98 25.76 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.589 1.556 . . . . 0.0 111.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -15.19 62.55 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.28 56.94 2.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 111.406 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.19 154.72 19.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.638 1.175 . . . . 0.0 112.557 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -83.04 164.68 20.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.059 0.944 . . . . 0.0 110.954 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -52.84 -40.1 63.07 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.193 0.997 . . . . 0.0 112.254 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.48 -52.61 51.53 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.534 1.064 . . . . 0.0 113.569 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -41.39 81.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.192 1.496 . . . . 0.0 111.832 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -38.15 61.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.219 1.007 . . . . 0.0 112.63 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -59.49 3.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.003 1.321 . . . . 0.0 112.961 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.8 ttm -76.47 -37.35 57.01 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.09 -51.42 61.91 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.739 0.816 . . . . 0.0 111.348 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -51.44 -35.88 41.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.916 1.286 . . . . 0.0 112.864 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -49.85 20.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.351 1.061 . . . . 0.0 111.635 175.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.27 73.45 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -51.7 68.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.55 2.34 . . . . 0.0 110.999 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -58.18 -25.06 61.09 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.54 1.136 . . . . 0.0 112.62 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.46 -38.08 12.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.557 1.143 . . . . 0.0 112.972 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.46 -57.41 5.38 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.07 1.348 . . . . 0.0 110.152 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -18.37 20.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -64.59 -43.02 95.15 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.868 1.667 . . . . 0.0 113.146 -175.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -81.33 -48.97 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.01 0.909 . . . . 0.0 108.915 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.7 -19.98 62.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.115 1.766 . . . . 0.0 114.058 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -49.11 -26.34 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.359 2.263 . . . . 0.0 113.987 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -70.13 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.964 1.306 . . . . 0.0 111.545 175.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.81 -18.2 61.49 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -46.72 55.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.925 1.29 . . . . 0.0 111.546 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.0 t70 47.05 30.31 1.27 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.769 2.028 . . . . 0.0 114.262 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -159.73 -164.24 1.3 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.689 1.996 . . . . 0.0 112.391 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.75 163.19 26.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.583 1.153 . . . . 0.0 112.076 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -55.87 -27.75 53.29 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.811 -1.181 . . . . 0.0 113.07 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.56 -26.22 12.71 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.896 1.678 . . . . 0.0 112.731 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.12 -55.29 34.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.913 1.233 . . . . 0.0 110.939 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -81.3 -43.43 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.964 1.305 . . . . 0.0 112.031 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -58.17 -47.43 83.42 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.799 0.727 . . . . 0.0 111.583 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -74.79 -19.77 60.07 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.933 0.893 . . . . 0.0 112.672 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.75 -21.51 64.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 119.739 -1.85 . . . . 0.0 111.114 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.05 -40.56 81.24 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 120.905 -1.122 . . . . 0.0 112.979 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -20.75 66.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -89.72 -28.95 19.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.616 2.367 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.3 mt -79.78 -54.13 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 125.201 1.4 . . . . 0.0 110.517 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -94.42 1.02 55.82 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.653 1.581 . . . . 0.0 113.575 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.4 t30 53.95 78.85 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.171 2.588 . . . . 0.0 114.148 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.85 98.93 5.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.14 1.376 . . . . 0.0 112.617 -170.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 124.856 1.263 . . . . 0.0 113.949 -177.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -86.2 106.92 17.65 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.152 0.976 . . . . 0.0 111.493 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -116.37 144.36 44.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.208 1.403 . . . . 0.0 110.739 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.9 mtt -123.82 141.9 51.6 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.032 1.733 . . . . 0.0 110.794 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.66 -47.7 0.64 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.193 1.378 . . . . 0.0 113.27 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 p -115.56 169.06 9.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.992 2.117 . . . . 0.0 112.327 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 t -76.86 -48.42 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.05 0.94 . . . . 0.0 112.092 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.56 -21.17 3.26 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.463 1.506 . . . . 0.0 114.903 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -168.67 1.74 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.59 1.556 . . . . 0.0 111.555 175.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -114.88 -86.31 0.6 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.269 1.828 . . . . 0.0 109.559 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.69 -33.34 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.003 1.321 . . . . 0.0 112.307 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 tp -59.21 109.11 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.772 1.229 . . . . 0.0 111.931 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -143.14 175.83 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 125.852 1.661 . . . . 0.0 111.658 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -118.59 178.17 4.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.054 1.742 . . . . 0.0 110.519 175.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.7 -30.75 14.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.054 1.341 . . . . 0.0 113.073 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.43 -59.7 3.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.015 1.726 . . . . 0.0 112.789 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.38 -34.33 78.05 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.275 1.03 . . . . 0.0 110.695 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.42 -50.88 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.163 0.892 . . . . 0.0 110.118 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -31.74 68.33 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.308 -0.87 . . . . 0.0 112.799 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.37 -55.79 5.35 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.311 1.045 . . . . 0.0 112.15 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.52 -37.9 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.436 1.017 . . . . 0.0 111.561 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -59.87 -30.05 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.017 0.527 . . . . 0.0 111.868 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -22.58 38.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 0.0 113.572 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.45 -47.94 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.601 1.16 . . . . 0.0 110.353 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -16.89 41.19 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -55.84 -26.52 47.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 0.0 113.912 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.2 125.97 30.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.813 1.245 . . . . 0.0 112.515 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.05 5.05 46.21 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.734 1.614 . . . . 0.0 114.007 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -97.23 18.57 14.74 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.387 1.875 . . . . 0.0 113.088 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -99.29 -7.48 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.008 1.723 . . . . 0.0 113.043 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 t -41.36 104.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.107 2.163 . . . . 0.0 111.863 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.62 141.22 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.574 1.15 . . . . 0.0 110.402 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.21 149.86 49.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.836 0.855 . . . . 0.0 111.86 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -41.44 90.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.413 1.085 . . . . 0.0 113.104 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -62.86 -44.12 96.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.445 1.098 . . . . 0.0 111.051 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -74.36 -28.26 61.04 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.226 1.01 . . . . 0.0 112.555 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -53.49 -52.1 60.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.877 1.271 . . . . 0.0 112.038 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.24 -28.82 43.86 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -79.85 -52.82 7.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.474 1.909 . . . . 0.0 111.252 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.28 56.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.388 1.475 . . . . 0.0 113.234 176.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -50.58 -40.55 52.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.799 1.24 . . . . 0.0 111.093 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -59.68 3.95 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.404 1.482 . . . . 0.0 113.042 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.64 -47.5 79.6 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 110.573 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -56.87 -43.37 81.15 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 117.877 -1.058 . . . . 0.0 111.97 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -30.58 67.76 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.577 1.08 . . . . 0.0 112.583 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.99 -41.55 28.76 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.764 1.226 . . . . 0.0 111.552 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.08 -17.13 6.2 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.047 -1.033 . . . . 0.0 113.265 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mm -70.51 -23.87 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.138 1.775 . . . . 0.0 112.745 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -120.24 -26.52 5.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.669 1.188 . . . . 0.0 113.399 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.28 -26.17 9.3 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.033 0.933 . . . . 0.0 112.731 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 150.21 43.61 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 124.305 0.955 . . . . 0.0 111.318 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 179.1 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.95 -1.125 . . . . 0.0 112.788 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.57 -51.75 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.731 1.212 . . . . 0.0 113.023 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -60.34 -34.04 73.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.05 1.34 . . . . 0.0 112.639 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -78.31 -50.98 10.81 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.225 1.01 . . . . 0.0 112.557 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.2 mm -48.83 -50.53 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.143 1.377 . . . . 0.0 112.17 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.18 -47.16 84.27 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.577 177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.19 -38.15 76.17 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.38 -64.92 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.243 1.017 . . . . 0.0 110.294 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -32.85 65.68 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -61.31 -56.97 14.44 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.187 1.395 . . . . 0.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.91 -49.24 66.32 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.95 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mp -54.96 -41.98 71.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.678 0.791 . . . . 0.0 112.022 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.38 -50.37 70.15 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.474 -1.392 . . . . 0.0 113.915 175.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.92 -25.92 64.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.13 -37.07 68.96 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.333 1.453 . . . . 0.0 112.84 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -29.26 13.34 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.154 1.382 . . . . 0.0 112.555 177.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.7 74.09 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.899 1.238 . . . . 0.0 114.269 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.6 158.59 44.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.93 1.692 . . . . 0.0 110.857 -175.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -60.59 -38.84 85.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.531 1.133 . . . . 0.0 113.542 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -85.93 82.43 8.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.056 1.342 . . . . 0.0 110.75 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.65 159.41 22.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -65.36 153.63 40.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.081 -0.387 . . . . 0.0 110.31 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -53.55 -46.27 70.17 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.781 0.832 . . . . 0.0 112.244 177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.77 -39.67 97.78 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.695 0.664 . . . . 0.0 113.73 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.8 -49.62 29.38 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.39 1.076 . . . . 0.0 111.0 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -49.35 -33.65 13.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.047 1.739 . . . . 0.0 112.512 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -58.27 7.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.316 1.446 . . . . 0.0 112.62 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ttm -76.4 -39.16 54.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.669 0.788 . . . . 0.0 112.188 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -55.15 -46.73 75.72 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.942 0.897 . . . . 0.0 111.406 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -50.33 -38.35 41.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.915 1.286 . . . . 0.0 112.769 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -51.08 23.0 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.909 1.284 . . . . 0.0 111.473 175.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.27 -27.65 69.16 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -63.24 -55.51 24.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.131 2.172 . . . . 0.0 111.141 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -58.94 -21.56 58.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.558 1.143 . . . . 0.0 112.651 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.39 -39.35 11.49 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 125.331 1.452 . . . . 0.0 113.579 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 tp -48.79 -57.73 5.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.074 1.35 . . . . 0.0 109.941 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.13 20.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -63.46 -47.47 81.69 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.388 1.875 . . . . 0.0 112.002 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.76 -48.28 12.72 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.725 0.774 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.95 -19.37 62.68 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.361 1.464 . . . . 0.0 113.049 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.1 t -42.76 -38.35 2.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.238 2.615 . . . . 0.0 112.862 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -61.08 2.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.307 1.043 . . . . 0.0 111.843 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.97 -21.21 60.89 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -46.66 71.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.038 1.335 . . . . 0.0 111.301 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t0 44.85 36.92 2.05 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.817 2.047 . . . . 0.0 113.81 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -165.44 0.68 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.056 2.142 . . . . 0.0 112.078 -170.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -66.32 161.34 22.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.791 1.237 . . . . 0.0 112.038 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -55.27 -28.55 54.17 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.933 -1.105 . . . . 0.0 113.104 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -26.26 13.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 112.66 175.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -55.43 -55.22 34.19 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.824 1.193 . . . . 0.0 111.12 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -81.07 -43.54 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.81 1.244 . . . . 0.0 112.63 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.67 -47.19 82.99 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.595 -0.691 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 t -74.77 -21.99 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.503 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.59 -21.01 66.14 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.852 -1.78 . . . . 0.0 110.792 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt -55.74 -44.2 77.34 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.474 -1.391 . . . . 0.0 112.767 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -29.59 70.49 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.91 -36.94 56.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.014 1.726 . . . . 0.0 111.512 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.48 -59.89 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.344 1.058 . . . . 0.0 110.684 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -83.21 6.49 19.26 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.755 1.222 . . . . 0.0 112.93 -177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.4 m120 45.96 56.07 6.41 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.229 2.612 . . . . 0.0 113.302 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -87.89 -28.5 21.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.986 1.314 . . . . 0.0 112.316 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.23 2.212 . . . . 0.0 112.266 -179.006 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -63.54 104.12 0.61 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.343 1.071 . . . . 0.0 112.119 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -60.85 -35.99 77.97 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.866 1.267 . . . . 0.0 113.556 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ttm -141.15 139.24 33.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.753 1.621 . . . . 0.0 110.211 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.24 -142.74 9.19 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.455 1.026 . . . . 0.0 112.492 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.65 166.28 2.58 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.865 1.666 . . . . 0.0 112.871 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -63.45 -37.82 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 121.349 -0.844 . . . . 0.0 112.696 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.27 -9.97 5.91 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.614 1.578 . . . . 0.0 114.899 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.27 -173.78 2.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.403 2.281 . . . . 0.0 111.487 175.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -115.96 -84.35 0.63 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.557 1.943 . . . . 0.0 110.187 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -145.06 -31.99 0.4 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.379 1.472 . . . . 0.0 112.661 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 114.42 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.193 . . . . 0.0 112.017 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -147.6 178.02 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.832 2.053 . . . . 0.0 111.909 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -120.68 179.32 4.38 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.319 1.847 . . . . 0.0 110.377 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.23 -25.66 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.97 -58.8 6.37 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.781 1.232 . . . . 0.0 113.089 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -42.57 90.93 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.965 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.63 -34.39 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 118.997 0.817 . . . . 0.0 111.345 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -74.85 -42.97 56.94 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.181 -1.574 . . . . 0.0 112.694 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.66 -52.05 42.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.65 0.78 . . . . 0.0 112.137 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -54.55 -39.81 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.194 0.907 . . . . 0.0 111.871 175.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.15 -29.71 68.84 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.812 0.733 . . . . 0.0 112.75 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -77.4 -30.84 53.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.935 1.294 . . . . 0.0 112.416 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.97 -53.25 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.045 -1.034 . . . . 0.0 111.132 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.37 -9.84 59.68 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -56.5 -22.9 35.81 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -82.89 121.62 27.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.179 0.992 . . . . 0.0 112.07 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -90.55 14.09 14.12 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.59 6.07 31.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 0.0 113.459 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -78.44 -8.18 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 126.084 1.753 . . . . 0.0 113.941 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -48.39 115.63 1.29 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.555 1.942 . . . . 0.0 113.106 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.3 152.7 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.827 -0.546 . . . . 0.0 111.25 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.17 140.25 58.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.017 . . . . 0.0 111.471 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -57.74 -25.08 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -73.54 -60.28 2.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.269 1.027 . . . . 0.0 110.916 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -62.54 -24.6 67.6 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.204 1.001 . . . . 0.0 112.691 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -49.87 -44.26 49.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.7 1.2 . . . . 0.0 112.862 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.15 -32.29 66.23 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.15 -41.44 14.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.397 1.479 . . . . 0.0 111.928 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -54.07 -35.1 61.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.104 1.362 . . . . 0.0 111.989 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.81 -42.45 68.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.808 0.843 . . . . 0.0 110.261 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -65.12 -56.51 12.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.98 1.312 . . . . 0.0 113.308 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.54 -49.84 69.31 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.623 0.647 . . . . 0.0 111.421 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.42 -35.34 78.94 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.117 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.56 65.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.716 1.206 . . . . 0.0 112.412 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -76.44 -39.37 53.57 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.331 -0.855 . . . . 0.0 111.381 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -55.37 -20.75 12.83 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.84 -19.48 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.338 1.055 . . . . 0.0 112.913 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -120.42 -32.74 4.03 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.931 1.692 . . . . 0.0 112.01 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -111.87 -32.9 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.058 1.343 . . . . 0.0 112.255 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.1 145.46 46.39 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 125.813 1.673 . . . . 0.0 111.937 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -82.83 179.14 7.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.158 -1.021 . . . . 0.0 113.257 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 p -47.89 -50.76 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.316 1.447 . . . . 0.0 113.524 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -59.92 -30.0 68.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.041 1.336 . . . . 0.0 112.229 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.42 -45.18 12.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.606 1.562 . . . . 0.0 112.22 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.44 -51.18 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.464 1.506 . . . . 0.0 111.474 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.76 80.66 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.59 -36.72 79.25 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -65.35 -61.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 123.811 0.844 . . . . 0.0 111.009 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -32.83 65.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.58 -57.04 14.67 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 125.557 1.543 . . . . 0.0 109.872 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.38 -56.55 9.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.26 -0.4 . . . . 0.0 111.03 175.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.29 -40.07 58.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.173 0.989 . . . . 0.0 113.12 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.88 -50.46 62.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.86 -19.33 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -47.53 68.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.647 1.112 . . . . 0.0 112.125 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -85.79 -28.52 24.47 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.431 0.692 . . . . 0.0 111.574 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.05 17.79 78.82 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.85 1.214 . . . . 0.0 113.47 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.21 171.6 17.15 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.921 1.688 . . . . 0.0 111.516 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -26.42 64.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -94.33 79.18 3.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.347 1.459 . . . . 0.0 112.339 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -68.37 163.4 23.22 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.237 1.015 . . . . 0.0 112.609 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.7 m -63.96 152.7 39.3 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.899 -0.501 . . . . 0.0 111.334 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -51.46 -43.53 62.13 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.927 0.891 . . . . 0.0 111.977 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 -52.54 46.26 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.46 1.029 . . . . 0.0 113.038 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -55.07 -43.34 73.79 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.705 1.252 . . . . 0.0 111.889 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -56.03 -29.4 60.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.344 1.058 . . . . 0.0 113.31 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -55.32 35.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.871 1.268 . . . . 0.0 111.638 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttm -76.16 -39.79 54.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.574 0.749 . . . . 0.0 111.898 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.14 -48.14 76.84 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.458 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.21 -41.14 26.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.534 1.133 . . . . 0.0 112.842 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -73.61 -51.42 16.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.376 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.52 67.25 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.919 0.887 . . . . 0.0 113.262 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -53.82 41.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.05 2.14 . . . . 0.0 110.643 174.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -60.25 -20.73 60.19 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.36 1.064 . . . . 0.0 112.698 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.43 -40.14 11.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.49 1.516 . . . . 0.0 112.447 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 tp -47.46 -59.78 2.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.121 1.368 . . . . 0.0 110.616 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -18.23 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -65.34 -43.52 90.66 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.163 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.5 -48.99 11.98 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.815 0.817 . . . . 0.0 109.556 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.15 -19.02 64.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.822 1.649 . . . . 0.0 113.3 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.61 -38.13 1.91 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.312 2.645 . . . . 0.0 113.161 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -59.52 4.62 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.757 1.223 . . . . 0.0 112.459 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.99 -21.94 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -45.53 54.61 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.909 1.284 . . . . 0.0 111.108 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 48.05 28.64 1.52 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.991 2.116 . . . . 0.0 114.128 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.03 -163.74 1.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.279 2.231 . . . . 0.0 111.835 -170.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 m -66.84 161.74 23.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.863 1.265 . . . . 0.0 111.902 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -55.52 -28.3 53.9 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 121.099 -1.0 . . . . 0.0 113.245 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -27.37 13.23 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.965 1.706 . . . . 0.0 112.864 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.54 -52.23 65.55 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.813 1.188 . . . . 0.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.28 -47.17 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.548 1.139 . . . . 0.0 112.26 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.34 -45.81 80.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.674 0.79 . . . . 0.0 111.444 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -74.61 -32.5 62.34 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.04 -23.77 62.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.951 1.25 . . . . 0.0 111.923 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.56 -31.88 64.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.099 0.863 . . . . 0.0 111.697 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -60.18 -29.38 68.65 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -92.41 -23.7 19.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.595 1.958 . . . . 0.0 112.624 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.04 -43.24 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.041 1.336 . . . . 0.0 111.936 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -108.7 5.64 25.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.709 1.204 . . . . 0.0 113.235 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 55.15 51.18 13.72 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.17 2.188 . . . . 0.0 113.381 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.64 -34.63 19.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.233 1.413 . . . . 0.0 113.129 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.335 0 C-N-CA 128.135 2.574 . . . . 0.0 114.239 -171.151 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.74 92.45 2.82 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.294 1.038 . . . . 0.0 111.416 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -156.39 -64.97 0.11 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.507 0.723 . . . . 0.0 112.666 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.18 140.35 48.72 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.164 1.386 . . . . 0.0 111.233 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.0 79.79 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.807 1.67 . . . . 0.0 111.837 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.93 137.71 33.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.942 1.297 . . . . 0.0 110.66 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.18 -32.82 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -10.44 7.56 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.058 1.79 . . . . 0.0 114.587 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.42 -169.67 1.54 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.954 2.102 . . . . 0.0 111.339 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -126.66 -88.81 0.56 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.046 2.139 . . . . 0.0 108.862 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -137.63 -36.75 0.62 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.729 1.612 . . . . 0.0 112.395 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.05 114.14 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.463 1.105 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.69 175.85 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.346 1.858 . . . . 0.0 112.067 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -112.58 179.32 4.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.13 1.772 . . . . 0.0 110.67 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.06 -24.97 11.14 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.49 -56.2 24.26 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.274 1.029 . . . . 0.0 112.947 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -42.83 89.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.07 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.5 t -54.7 -49.32 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.969 0.804 . . . . 0.0 110.037 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -65.69 -29.63 70.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.082 -1.011 . . . . 0.0 113.113 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.68 -55.96 5.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 112.771 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.08 -39.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.068 1.347 . . . . 0.0 111.032 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -58.82 -32.36 69.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.241 0.616 . . . . 0.0 112.091 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -24.15 46.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.822 1.249 . . . . 0.0 113.638 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.03 -53.86 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.768 1.227 . . . . 0.0 110.387 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.18 -9.54 59.78 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -58.94 -29.96 67.51 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.03 134.04 40.21 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.53 1.132 . . . . 0.0 110.926 175.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -90.67 -2.62 57.83 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -83.39 18.38 1.83 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.94 1.696 . . . . 0.0 114.376 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -103.37 7.18 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.096 2.559 . . . . 0.0 113.163 -177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 p -49.83 127.18 15.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.292 1.437 . . . . 0.0 112.856 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.44 127.97 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.58 1.152 . . . . 0.0 109.79 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.4 140.84 58.91 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.352 1.061 . . . . 0.0 112.513 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -33.22 75.19 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.2 m -64.22 -42.94 96.37 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.225 -0.922 . . . . 0.0 111.393 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -82.5 -20.36 36.91 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.802 1.241 . . . . 0.0 112.493 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -44.59 68.39 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 0.0 112.673 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -52.63 -34.36 50.96 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -86.63 -40.82 14.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.082 1.353 . . . . 0.0 111.341 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -55.19 -33.92 63.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.784 1.634 . . . . 0.0 112.515 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.42 -40.74 68.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.615 0.766 . . . . 0.0 110.676 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -66.93 -55.93 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.435 1.494 . . . . 0.0 113.077 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.56 -52.65 61.41 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.645 0.657 . . . . 0.0 110.773 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -59.84 -36.0 75.91 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.078 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -31.58 62.94 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.18 1.355 . . . . 0.0 112.908 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.96 -38.62 36.56 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.314 -0.866 . . . . 0.0 111.311 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -19.51 17.62 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mm -73.15 -17.32 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.694 1.198 . . . . 0.0 113.123 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -122.64 -31.89 3.66 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.907 1.683 . . . . 0.0 112.045 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 p -116.89 -28.48 6.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.359 1.464 . . . . 0.0 112.257 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.19 140.42 37.59 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 125.006 1.289 . . . . 0.0 111.265 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.15 174.86 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.259 -0.97 . . . . 0.0 112.455 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -47.07 -51.32 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.008 1.723 . . . . 0.0 113.082 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.08 -33.92 69.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.836 1.255 . . . . 0.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.66 -46.23 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.399 1.08 . . . . 0.0 113.507 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.9 mm -50.83 -50.58 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.714 1.597 . . . . 0.0 111.653 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.6 89.77 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.36 -35.43 80.37 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.787 -1.196 . . . . 0.0 113.399 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.3 t -59.57 -66.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.807 0.843 . . . . 0.0 110.277 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -32.86 67.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -57.23 -57.32 13.12 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.956 1.702 . . . . 0.0 110.292 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.06 -45.84 79.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.904 -0.569 . . . . 0.0 109.788 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.88 -37.86 77.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.475 1.11 . . . . 0.0 113.618 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -68.09 -50.69 53.38 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.899 0.772 . . . . 0.0 113.081 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -70.24 -23.51 62.92 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.506 -0.746 . . . . 0.0 112.673 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.35 -35.92 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.834 1.254 . . . . 0.0 111.321 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -93.54 -32.15 14.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.058 0.543 . . . . 0.0 112.189 175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.0 11.42 66.69 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.212 0.91 . . . . 0.0 114.339 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -130.62 157.34 43.0 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.141 1.776 . . . . 0.0 111.42 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.94 -38.65 91.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.118 1.367 . . . . 0.0 112.992 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 86.34 5.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.859 1.664 . . . . 0.0 109.898 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.28 159.52 26.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.681 0.792 . . . . 0.0 112.227 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -65.58 152.85 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.711 0.804 . . . . 0.0 110.504 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -50.15 -43.99 52.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.086 0.954 . . . . 0.0 112.472 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.05 80.72 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.571 1.082 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.63 -45.02 66.0 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.814 1.307 . . . . 0.0 111.535 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -50.24 -36.73 32.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.424 1.489 . . . . 0.0 112.885 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -50.48 -59.18 4.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.21 1.804 . . . . 0.0 113.368 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 ttm -76.28 -33.59 59.11 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.913 0.779 . . . . 0.0 111.882 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -54.0 -49.19 69.4 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.53 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -52.68 -39.37 61.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.56 1.144 . . . . 0.0 111.947 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -51.95 35.13 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.408 1.083 . . . . 0.0 111.364 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.79 68.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -64.68 -53.41 47.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.12 2.168 . . . . 0.0 111.348 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -22.46 56.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.921 0.889 . . . . 0.0 112.56 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.39 -39.41 11.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.225 1.41 . . . . 0.0 113.129 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.46 -57.56 5.93 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.503 1.521 . . . . 0.0 110.364 176.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 118.655 -0.688 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -45.63 85.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.415 1.486 . . . . 0.0 112.712 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.85 -48.83 10.33 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.117 0.961 . . . . 0.0 109.815 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.73 -22.29 63.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.809 2.044 . . . . 0.0 113.608 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -28.08 2.45 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.225 2.61 . . . . 0.0 113.868 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -67.52 0.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.819 1.247 . . . . 0.0 111.218 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.12 -19.77 61.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -46.62 53.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.092 1.357 . . . . 0.0 111.962 175.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.6 t70 47.35 27.95 0.99 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 126.611 1.964 . . . . 0.0 114.655 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.38 -167.31 2.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.327 2.251 . . . . 0.0 111.715 -169.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.38 158.79 25.67 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.858 -1.151 . . . . 0.0 111.651 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -54.66 -28.05 44.48 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.286 -0.884 . . . . 0.0 112.854 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.26 -26.54 12.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.043 1.737 . . . . 0.0 112.217 174.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -59.78 4.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.405 1.457 . . . . 0.0 109.603 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.5 mt -79.51 -42.99 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.479 1.112 . . . . 0.0 111.619 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.84 -49.33 71.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.021 0.929 . . . . 0.0 111.441 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -74.87 -28.18 60.55 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -25.75 48.81 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.765 1.62 . . . . 0.0 112.71 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.6 mt -54.42 -34.53 61.52 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.669 0.788 . . . . 0.0 112.181 174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -63.0 -32.21 73.51 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.896 0.878 . . . . 0.0 113.122 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.83 -25.17 24.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.88 2.072 . . . . 0.0 113.086 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 63.3 mt -76.48 -67.03 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.486 1.115 . . . . 0.0 109.975 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.99 2.68 37.81 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.896 1.679 . . . . 0.0 113.224 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 t30 54.57 57.87 5.38 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 127.401 2.28 . . . . 0.0 113.005 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.02 -34.48 13.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.353 1.461 . . . . 0.0 113.293 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.898 -170.851 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -154.7 35.25 0.4 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -62.67 150.4 41.03 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.669 -1.269 . . . . 0.0 113.049 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -133.95 169.96 16.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.056 2.142 . . . . 0.0 111.151 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -177.18 17.12 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.123 1.344 . . . . 0.0 112.727 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -81.38 -74.51 0.33 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.389 1.076 . . . . 0.0 112.018 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.42 -35.7 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.586 1.154 . . . . 0.0 111.622 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.28 -12.52 7.12 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.94 1.733 . . . . 0.0 114.61 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.19 176.87 4.94 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.168 1.787 . . . . 0.0 110.713 175.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -53.98 2.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.416 1.886 . . . . 0.0 111.446 -172.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -162.57 -42.64 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.258 1.423 . . . . 0.0 110.828 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -43.63 106.34 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.349 1.86 . . . . 0.0 115.391 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.04 176.4 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.606 1.962 . . . . 0.0 113.519 -176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -122.13 177.56 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.189 2.195 . . . . 0.0 111.748 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -27.27 9.44 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.621 1.168 . . . . 0.0 113.749 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.18 -57.89 10.89 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.446 1.021 . . . . 0.0 112.99 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -38.2 68.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.962 0.905 . . . . 0.0 110.8 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.79 -42.02 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -36.25 83.3 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.107 -0.995 . . . . 0.0 112.941 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.79 -53.95 23.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.748 1.219 . . . . 0.0 112.452 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.67 -38.74 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.041 1.291 . . . . 0.0 111.594 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -61.91 -28.28 69.41 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -77.54 -30.61 52.86 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.084 1.353 . . . . 0.0 112.598 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -52.57 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.72 -11.09 59.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -56.03 -27.83 54.82 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.848 1.259 . . . . 0.0 114.382 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.8 145.35 42.98 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.318 1.047 . . . . 0.0 112.98 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -112.31 -3.53 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.167 1.387 . . . . 0.0 113.994 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.88 6.22 49.12 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.403 1.881 . . . . 0.0 112.838 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.17 -12.43 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.584 1.953 . . . . 0.0 113.837 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.5 p -46.88 104.24 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.657 2.383 . . . . 0.0 113.225 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.53 156.96 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.493 0.663 . . . . 0.0 112.548 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.94 148.47 47.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.658 1.183 . . . . 0.0 112.657 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 p -68.2 -35.37 77.88 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -66.7 -47.54 72.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.062 0.945 . . . . 0.0 110.486 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.7 m -68.89 -26.28 65.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.803 1.241 . . . . 0.0 113.079 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -52.82 -42.87 65.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.239 1.016 . . . . 0.0 112.705 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.64 -40.43 62.78 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.176 0.99 . . . . 0.0 113.066 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -82.61 -38.14 23.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.878 1.271 . . . . 0.0 111.646 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -55.77 -35.36 66.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.996 1.318 . . . . 0.0 112.148 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.37 -44.64 68.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.737 0.815 . . . . 0.0 110.613 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -60.68 -61.26 2.72 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.057 1.343 . . . . 0.0 112.3 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.67 -50.32 66.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.714 0.688 . . . . 0.0 111.383 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -59.88 -36.02 76.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.377 -0.82 . . . . 0.0 112.93 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -30.14 67.15 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.881 1.219 . . . . 0.0 112.588 174.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.82 -36.5 31.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.15 0.98 . . . . 0.0 111.665 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -18.08 23.26 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 175.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mm -69.86 -26.02 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.465 1.106 . . . . 0.0 112.922 178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.07 -24.44 5.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.885 1.274 . . . . 0.0 113.659 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -110.61 -26.15 9.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.236 1.415 . . . . 0.0 112.682 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.83 156.55 47.83 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 124.514 1.054 . . . . 0.0 111.534 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.75 175.67 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.346 -0.927 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 p -52.01 -44.33 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.703 1.601 . . . . 0.0 111.45 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -62.54 -40.16 95.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.453 1.501 . . . . 0.0 110.971 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -72.49 -46.67 53.72 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.5 mm -48.48 -48.54 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.327 1.421 . . . . 0.0 111.358 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.49 85.57 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.45 -34.87 74.62 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.3 t -63.0 -62.98 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 124.441 1.096 . . . . 0.0 110.473 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -32.98 69.7 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -59.9 -55.75 30.28 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.279 1.432 . . . . 0.0 110.169 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.12 62.22 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.079 0.237 . . . . 0.0 110.692 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.3 -43.86 61.77 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.965 1.306 . . . . 0.0 112.822 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.27 -50.57 65.24 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.5 -25.26 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.289 -0.882 . . . . 0.0 112.375 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.55 -33.9 70.42 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.248 1.419 . . . . 0.0 111.935 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -32.32 15.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.982 0.913 . . . . 0.0 112.628 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.89 18.27 79.56 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.236 0.922 . . . . 0.0 114.585 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.93 177.51 10.07 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.779 1.631 . . . . 0.0 112.499 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -34.13 58.5 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.59 78.57 2.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.568 1.947 . . . . 0.0 110.94 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.53 158.58 14.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 112.692 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.2 t -63.0 152.32 37.21 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.071 0.948 . . . . 0.0 110.708 175.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.8 -39.48 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.719 0.808 . . . . 0.0 112.219 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.86 -52.05 54.49 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.389 0.995 . . . . 0.0 113.748 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -70.43 -41.79 72.43 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.595 1.158 . . . . 0.0 111.986 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -33.6 34.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.018 1.727 . . . . 0.0 112.665 178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -52.75 -59.78 4.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.786 1.634 . . . . 0.0 113.038 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.22 -36.8 58.41 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.184 0.594 . . . . 0.0 112.328 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -54.12 -48.75 70.44 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.796 0.838 . . . . 0.0 111.688 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 -38.51 56.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.64 1.176 . . . . 0.0 112.569 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -70.16 -53.64 16.33 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.393 1.077 . . . . 0.0 110.91 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.23 69.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.15 -55.14 23.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.159 2.184 . . . . 0.0 110.144 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -60.43 -22.76 63.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.287 1.035 . . . . 0.0 112.817 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 mt -92.46 -32.35 14.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.094 1.758 . . . . 0.0 114.639 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.71 -61.25 2.43 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.133 1.373 . . . . 0.0 109.015 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -22.0 28.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-O 118.232 -0.89 . . . . 0.0 112.737 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -53.99 -55.25 28.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.322 1.449 . . . . 0.0 111.223 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.61 -39.9 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.72 -19.5 63.98 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -44.54 -35.52 2.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 128.191 2.596 . . . . 0.0 113.222 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -70.41 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.636 1.574 . . . . 0.0 112.498 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.74 -19.59 62.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -45.16 48.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.69 1.196 . . . . 0.0 111.58 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 47.19 28.52 1.0 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.691 1.996 . . . . 0.0 114.386 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.81 -166.6 1.91 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.498 2.319 . . . . 0.0 111.676 -169.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -67.31 156.61 36.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.6 1.16 . . . . 0.0 111.467 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -53.86 -28.27 35.09 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.147 -0.97 . . . . 0.0 113.02 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -26.13 5.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.76 2.024 . . . . 0.0 112.75 174.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -59.87 4.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.679 1.127 . . . . 0.0 109.11 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.2 -43.07 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.505 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -56.03 -49.94 72.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.794 0.838 . . . . 0.0 111.297 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -74.83 -28.43 60.69 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.65 -25.79 29.1 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.738 1.608 . . . . 0.0 112.284 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.84 -32.4 52.78 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.623 0.769 . . . . 0.0 111.746 175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -66.06 -30.19 70.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.018 0.927 . . . . 0.0 113.159 174.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -90.09 -19.98 23.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.011 2.124 . . . . 0.0 113.308 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -85.87 -63.2 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.15 1.38 . . . . 0.0 109.626 174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.3 2.69 39.01 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.552 1.541 . . . . 0.0 113.398 -176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 54.47 56.03 7.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.169 2.588 . . . . 0.0 113.947 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt -90.63 -36.0 14.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.771 1.628 . . . . 0.0 112.405 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.507 3.123 . . . . 0.0 115.445 -171.067 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 p -86.81 51.51 2.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.271 2.229 . . . . 0.0 113.451 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -64.41 -23.74 67.39 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.801 1.24 . . . . 0.0 114.0 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 177.52 2.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.832 1.653 . . . . 0.0 112.452 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.58 -162.7 54.6 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 121.445 -0.784 . . . . 0.0 111.808 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -110.03 -68.27 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 112.267 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.38 -38.96 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.447 0.699 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.35 -11.61 6.08 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.76 1.648 . . . . 0.0 114.967 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.99 -178.85 3.46 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.782 2.033 . . . . 0.0 111.43 176.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -107.59 -72.37 0.72 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.632 1.573 . . . . 0.0 111.426 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.36 -33.97 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.347 1.459 . . . . 0.0 112.494 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -59.24 111.13 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.767 1.227 . . . . 0.0 111.826 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -139.58 175.29 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.852 1.661 . . . . 0.0 112.69 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -115.2 175.71 5.39 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.991 2.116 . . . . 0.0 110.857 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.18 -27.12 8.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.527 1.131 . . . . 0.0 113.936 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.02 -55.24 35.2 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.746 1.157 . . . . 0.0 113.171 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -42.62 80.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.128 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.21 -42.1 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 118.371 0.532 . . . . 0.0 110.164 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -31.06 68.0 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.476 -1.39 . . . . 0.0 112.709 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -76.82 -54.5 6.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.372 1.469 . . . . 0.0 113.035 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.66 -37.67 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.337 1.055 . . . . 0.0 111.6 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -30.56 69.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.262 0.625 . . . . 0.0 112.28 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -78.5 -29.75 46.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.216 1.406 . . . . 0.0 112.417 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.4 -53.12 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.302 1.041 . . . . 0.0 111.098 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -9.77 59.78 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.94 53.84 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -75.19 141.4 43.62 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.956 0.902 . . . . 0.0 112.877 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 -7.33 15.02 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -86.14 6.41 29.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.746 1.618 . . . . 0.0 113.252 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 pp -73.02 -12.46 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.174 1.79 . . . . 0.0 113.667 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -48.05 104.16 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.885 2.074 . . . . 0.0 113.292 -171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.02 149.83 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.342 0.657 . . . . 0.0 112.079 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.39 151.84 46.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.037 0.935 . . . . 0.0 111.857 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.6 p -62.19 -46.64 88.04 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.8 m -60.71 -38.66 85.81 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.189 -0.945 . . . . 0.0 111.763 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -76.66 -28.25 55.9 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.896 0.879 . . . . 0.0 111.937 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -57.0 -47.52 80.65 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.961 1.304 . . . . 0.0 112.77 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -51.22 -32.21 23.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.816 0.847 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -86.89 -44.47 11.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.706 1.602 . . . . 0.0 111.88 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -53.49 -33.44 54.33 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.02 1.728 . . . . 0.0 112.712 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.01 -41.19 64.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.913 0.885 . . . . 0.0 111.065 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -67.56 -56.22 10.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.881 1.672 . . . . 0.0 112.478 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.2 -51.18 67.38 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.368 0.531 . . . . 0.0 111.565 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -61.57 -34.21 75.2 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.938 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -33.69 67.52 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.707 1.14 . . . . 0.0 112.236 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -78.68 -37.25 42.23 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.236 -0.915 . . . . 0.0 111.521 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -54.05 -23.65 14.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.47 -21.61 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.86 1.264 . . . . 0.0 112.506 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -119.99 -31.98 4.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.334 1.854 . . . . 0.0 112.348 -173.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.5 p -116.09 -26.55 7.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.142 1.377 . . . . 0.0 112.622 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.9 152.49 47.38 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 124.797 1.189 . . . . 0.0 111.487 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.3 178.43 6.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.982 -1.109 . . . . 0.0 112.594 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -47.76 -52.07 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.295 1.438 . . . . 0.0 113.31 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.26 -30.05 68.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.291 1.437 . . . . 0.0 111.941 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -84.74 -46.4 11.46 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.484 1.114 . . . . 0.0 113.297 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.4 mm -50.01 -49.43 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 120.167 1.348 . . . . 0.0 110.77 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.54 93.11 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.72 -30.48 71.5 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.484 -1.385 . . . . 0.0 114.257 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.8 t -65.78 -63.73 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.324 1.05 . . . . 0.0 110.111 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -30.59 66.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.136 0.575 . . . . 0.0 112.548 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.36 -55.97 28.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.193 1.797 . . . . 0.0 111.573 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -53.03 58.41 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.6 0.562 . . . . 0.0 110.234 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -52.76 -44.79 66.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.086 1.354 . . . . 0.0 113.441 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.67 -50.74 71.28 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.222 1.009 . . . . 0.0 113.355 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -71.43 -28.8 64.24 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.658 -0.651 . . . . 0.0 112.713 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.41 -37.15 77.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.468 1.107 . . . . 0.0 111.256 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.23 -32.3 58.83 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.465 0.706 . . . . 0.0 112.234 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.71 11.61 69.32 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.513 1.054 . . . . 0.0 114.462 -173.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.73 176.37 12.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.849 1.659 . . . . 0.0 111.541 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -31.26 60.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.345 1.458 . . . . 0.0 114.223 177.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.12 84.5 6.91 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.834 1.254 . . . . 0.0 111.375 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 150.25 29.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -63.8 159.9 18.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.931 0.492 . . . . 0.0 110.965 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.91 -45.35 67.54 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.771 0.714 . . . . 0.0 112.106 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.77 -52.67 18.9 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 119.375 -0.681 . . . . 0.0 112.234 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.725 1.263 . . . . 0.0 112.673 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.17 -30.29 64.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.161 0.985 . . . . 0.0 112.423 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -51.58 69.12 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.646 1.178 . . . . 0.0 111.972 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -76.44 -41.47 47.37 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.47 -46.65 76.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.549 0.74 . . . . 0.0 111.851 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -50.63 -40.16 52.35 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.752 1.221 . . . . 0.0 112.866 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.75 -49.6 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.117 0.967 . . . . 0.0 111.067 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.77 -29.44 69.42 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -63.89 -55.07 25.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.015 2.126 . . . . 0.0 110.903 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -59.78 -20.33 56.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.29 1.036 . . . . 0.0 112.634 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.38 -40.68 10.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.429 1.491 . . . . 0.0 112.944 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -48.46 -56.81 7.25 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.032 1.333 . . . . 0.0 110.973 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -15.69 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -69.38 -42.43 75.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.204 1.802 . . . . 0.0 112.467 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.3 -49.1 11.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.697 0.76 . . . . 0.0 109.731 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.73 -19.25 63.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.021 1.728 . . . . 0.0 113.704 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -34.39 1.8 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 128.127 2.571 . . . . 0.0 113.743 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -68.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.556 1.542 . . . . 0.0 112.478 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.66 -19.63 62.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -45.3 62.39 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.771 1.228 . . . . 0.0 111.671 174.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t0 42.12 37.37 0.85 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 127.068 2.147 . . . . 0.0 113.675 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.03 -167.29 1.04 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.891 2.076 . . . . 0.0 111.815 -170.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 m -66.21 158.14 29.6 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.841 1.256 . . . . 0.0 111.524 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -55.3 -27.71 48.66 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.277 -0.889 . . . . 0.0 113.072 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.62 -25.48 10.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.811 1.644 . . . . 0.0 112.819 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -59.62 4.46 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.178 1.353 . . . . 0.0 108.976 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.38 -40.34 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.193 0.997 . . . . 0.0 111.784 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.88 -47.05 81.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.434 0.694 . . . . 0.0 111.405 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 m -74.69 -29.34 61.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.782 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -22.24 23.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.085 1.766 . . . . 0.0 112.922 175.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -57.02 -37.98 72.49 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.796 -1.19 . . . . 0.0 111.767 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -24.95 66.77 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.638 0.654 . . . . 0.0 112.201 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.5 -26.65 26.12 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.677 1.591 . . . . 0.0 113.077 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.2 mt -86.04 -67.7 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.135 1.374 . . . . 0.0 109.97 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -78.79 -9.26 59.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.0 1.32 . . . . 0.0 113.09 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t30 56.56 58.17 4.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.648 2.379 . . . . 0.0 114.036 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -34.8 44.04 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.457 1.103 . . . . 0.0 113.254 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.26 0 C-N-CA 127.163 2.185 . . . . 0.0 112.191 179.12 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -143.71 160.18 41.16 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.443 1.097 . . . . 0.0 112.055 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -140.65 9.24 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.812 1.645 . . . . 0.0 113.69 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.18 141.4 19.5 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.44 1.896 . . . . 0.0 111.182 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 128.93 -83.02 0.33 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.463 1.506 . . . . 0.0 112.772 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -126.53 154.95 43.14 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.497 1.919 . . . . 0.0 111.664 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.45 -34.07 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 125.19 1.396 . . . . 0.0 113.226 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.56 -38.69 1.82 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 126.083 1.801 . . . . 0.0 113.827 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -175.86 5.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.603 1.161 . . . . 0.0 112.233 174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -111.62 -72.27 0.72 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.231 1.812 . . . . 0.0 112.243 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -35.33 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.471 1.508 . . . . 0.0 112.051 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.1 116.92 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.565 1.146 . . . . 0.0 112.049 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.98 168.52 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.125 1.77 . . . . 0.0 112.086 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 p -110.75 176.5 5.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.332 1.853 . . . . 0.0 111.427 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.48 -32.17 26.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.011 0.924 . . . . 0.0 112.961 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.6 -55.83 19.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.074 0.95 . . . . 0.0 112.59 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.16 -36.86 85.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.725 0.81 . . . . 0.0 111.512 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.45 -49.34 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.089 0.955 . . . . 0.0 110.272 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.57 75.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.591 -0.693 . . . . 0.0 112.303 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.47 -55.65 9.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.687 1.195 . . . . 0.0 112.002 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -56.53 -42.44 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 119.019 0.827 . . . . 0.0 111.532 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -54.57 -36.94 64.9 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.057 0.844 . . . . 0.0 112.082 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -27.04 67.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 0.0 114.061 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.21 -46.47 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.694 1.197 . . . . 0.0 110.45 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -12.25 57.03 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -22.42 58.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.73 1.212 . . . . 0.0 114.053 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.03 121.81 28.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.856 0.862 . . . . 0.0 111.509 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.3 -9.83 58.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.173 0.989 . . . . 0.0 113.436 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.98 4.48 14.18 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.932 1.693 . . . . 0.0 114.0 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 pp -79.69 -10.79 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.538 1.935 . . . . 0.0 113.724 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -46.39 104.09 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.333 2.253 . . . . 0.0 113.235 -174.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.85 150.32 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.353 0.597 . . . . 0.0 112.539 -176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 147.67 49.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.729 1.212 . . . . 0.0 112.017 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.68 86.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.475 1.11 . . . . 0.0 113.667 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -66.72 -44.24 82.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.651 -0.656 . . . . 0.0 110.797 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 m -73.35 -26.54 61.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.494 1.118 . . . . 0.0 112.641 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -53.47 -53.2 54.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.827 1.251 . . . . 0.0 112.86 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -54.59 -28.96 50.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.87 -45.67 34.35 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.78 -30.81 71.05 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.44 1.496 . . . . 0.0 113.002 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -50.64 -39.14 49.7 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.044 0.938 . . . . 0.0 110.542 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.08 -63.31 1.19 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.508 1.523 . . . . 0.0 112.993 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.47 -50.51 59.69 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.567 0.622 . . . . 0.0 111.534 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -59.77 -38.74 82.65 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.09 0.956 . . . . 0.0 112.726 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -58.78 -30.2 67.39 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.921 1.237 . . . . 0.0 112.293 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.7 -32.82 31.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.344 -0.847 . . . . 0.0 111.946 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -59.1 -19.17 42.03 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.586 -0.696 . . . . 0.0 112.635 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.16 -20.98 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.318 1.047 . . . . 0.0 112.481 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -32.04 4.27 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.507 1.523 . . . . 0.0 112.497 -177.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 p -110.94 -25.69 9.69 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.105 1.362 . . . . 0.0 112.577 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.02 146.59 32.33 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 124.863 1.22 . . . . 0.0 111.158 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -177.42 6.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.954 -1.123 . . . . 0.0 113.678 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.0 p -47.32 -52.36 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.743 1.217 . . . . 0.0 113.352 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -60.63 -35.07 75.27 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.674 1.189 . . . . 0.0 111.663 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.47 -48.96 14.29 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.961 1.304 . . . . 0.0 112.016 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.16 -50.06 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.286 1.434 . . . . 0.0 111.27 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.15 74.97 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.13 -33.45 67.79 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.913 -1.117 . . . . 0.0 112.342 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.72 -65.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.93 1.292 . . . . 0.0 110.122 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.52 67.98 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.83 -52.87 63.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 126.65 1.98 . . . . 0.0 111.191 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -51.47 61.21 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.693 0.62 . . . . 0.0 110.299 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.55 -47.15 80.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 175.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.99 -46.49 78.68 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.982 -1.074 . . . . 0.0 113.211 175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -74.79 -25.92 59.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.43 -34.81 69.34 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.88 1.272 . . . . 0.0 112.157 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -81.2 -32.14 33.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.013 0.925 . . . . 0.0 112.287 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.57 -4.7 83.83 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.944 1.735 . . . . 0.0 114.895 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.72 167.22 25.2 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.043 2.137 . . . . 0.0 111.18 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -12.28 60.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.51 67.96 5.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.497 2.319 . . . . 0.0 111.562 177.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.56 151.12 29.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.82 1.248 . . . . 0.0 112.902 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -76.37 170.55 16.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.272 0.629 . . . . 0.0 110.83 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.0 -50.7 60.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.865 1.266 . . . . 0.0 112.727 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.62 -39.43 95.1 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 123.686 0.66 . . . . 0.0 113.753 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -72.87 -48.16 39.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.9 0.88 . . . . 0.0 110.435 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.52 -34.98 52.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.73 1.612 . . . . 0.0 112.938 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -59.52 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.399 1.48 . . . . 0.0 113.081 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.42 -41.0 49.18 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.02 0.528 . . . . 0.0 111.778 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 tp -53.65 -45.93 70.38 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.913 0.885 . . . . 0.0 111.712 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -49.48 -41.57 40.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.898 1.679 . . . . 0.0 112.866 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.86 -50.05 22.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.06 0.944 . . . . 0.0 111.031 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.64 71.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -54.84 31.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.587 2.355 . . . . 0.0 110.889 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -55.38 -24.37 29.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.482 1.513 . . . . 0.0 113.0 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.38 -38.85 11.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.4 1.08 . . . . 0.0 113.468 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.7 tp -48.35 -61.41 2.01 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.394 1.478 . . . . 0.0 110.454 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -19.08 25.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.691 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -46.74 86.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.133 1.773 . . . . 0.0 112.254 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.89 -48.6 12.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.72 0.772 . . . . 0.0 109.644 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.83 -20.26 63.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.303 1.841 . . . . 0.0 112.811 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.03 -38.18 1.57 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.579 2.751 . . . . 0.0 113.016 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -63.21 1.26 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.318 1.047 . . . . 0.0 111.903 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.45 -21.88 61.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -44.63 67.29 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.848 1.259 . . . . 0.0 111.881 175.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 42.81 35.39 0.71 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.806 2.042 . . . . 0.0 114.176 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.4 -165.99 0.93 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.403 2.281 . . . . 0.0 111.458 -169.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.43 159.66 29.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.389 1.075 . . . . 0.0 111.557 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.31 -27.77 49.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.845 0.858 . . . . 0.0 112.991 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -26.74 12.76 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.178 1.791 . . . . 0.0 112.672 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -59.53 4.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.907 1.231 . . . . 0.0 109.38 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.23 -43.09 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 123.782 0.833 . . . . 0.0 111.864 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.17 -45.81 79.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.567 0.747 . . . . 0.0 111.359 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -74.7 -34.28 62.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -55.37 -21.97 17.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.039 1.29 . . . . 0.0 112.941 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.0 mt -52.82 -44.12 66.44 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 119.145 0.884 . . . . 0.0 112.228 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.72 -31.85 69.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.721 0.809 . . . . 0.0 112.621 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -80.85 -30.22 35.69 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.302 1.841 . . . . 0.0 113.135 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 32.2 mt -80.98 -65.49 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.892 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -73.76 -5.94 43.88 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.169 1.787 . . . . 0.0 112.893 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 55.64 60.58 3.24 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.438 2.295 . . . . 0.0 112.837 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mt -97.14 -67.8 0.83 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.851 1.261 . . . . 0.0 110.808 -171.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 129.239 3.016 . . . . 0.0 114.694 -177.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -139.63 104.8 5.01 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.745 1.618 . . . . 0.0 112.235 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -156.87 42.75 0.36 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.95 1.7 . . . . 0.0 112.93 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.2 mtp -64.21 100.61 0.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.196 0.998 . . . . 0.0 111.461 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.13 -169.38 15.66 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 127.615 2.531 . . . . 0.0 111.76 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -77.6 -75.17 0.22 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.479 1.111 . . . . 0.0 112.391 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.6 -33.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 121.517 -0.739 . . . . 0.0 112.281 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.52 -6.44 9.84 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.821 1.677 . . . . 0.0 115.202 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.34 -175.6 3.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.151 2.18 . . . . 0.0 111.161 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -116.25 -73.14 0.66 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.355 1.462 . . . . 0.0 111.993 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -156.09 -34.61 0.09 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.514 1.526 . . . . 0.0 112.249 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 115.45 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.892 1.277 . . . . 0.0 112.216 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.25 174.77 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.676 1.99 . . . . 0.0 112.132 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 p -111.99 177.17 4.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.945 1.698 . . . . 0.0 110.458 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.52 -22.58 8.44 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.088 1.355 . . . . 0.0 114.001 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -60.41 -54.2 48.42 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.826 1.25 . . . . 0.0 112.854 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -42.99 80.37 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.816 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -55.89 -29.78 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 123.752 0.658 . . . . 0.0 110.909 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -76.96 -49.87 14.5 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.29 -1.506 . . . . 0.0 111.126 175.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -58.94 -51.7 68.92 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.754 1.222 . . . . 0.0 112.341 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 p -55.73 -46.54 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.963 1.305 . . . . 0.0 111.66 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.5 -38.66 69.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.218 0.917 . . . . 0.0 111.312 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.71 69.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.143 1.377 . . . . 0.0 114.082 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.97 -47.07 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.406 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -13.56 55.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -58.04 -27.06 63.24 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.019 1.327 . . . . 0.0 114.201 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -82.03 121.58 26.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.052 1.341 . . . . 0.0 111.955 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.57 -5.34 59.14 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.31 6.32 12.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.673 1.989 . . . . 0.0 114.125 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 pp -85.25 -8.14 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.066 2.146 . . . . 0.0 114.091 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -46.55 104.9 0.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.351 2.26 . . . . 0.0 113.968 -171.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.27 122.37 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.881 1.272 . . . . 0.0 111.269 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 137.77 58.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.505 1.522 . . . . 0.0 112.582 176.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -60.02 -30.66 69.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.944 1.297 . . . . 0.0 114.462 -174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -63.45 -46.42 86.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.791 1.236 . . . . 0.0 111.534 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.2 m -79.62 -24.81 41.68 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.286 1.035 . . . . 0.0 112.104 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -50.3 -45.59 54.72 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.559 1.072 . . . . 0.0 113.116 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -53.07 -32.47 47.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.108 0.963 . . . . 0.0 112.877 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.8 -41.75 13.84 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.435 1.894 . . . . 0.0 112.0 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.16 61.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.165 . . . . 0.0 112.06 175.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.09 -41.82 62.72 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.074 0.95 . . . . 0.0 111.09 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -65.5 -58.23 6.31 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.714 1.206 . . . . 0.0 112.736 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.48 -48.31 71.97 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.826 0.739 . . . . 0.0 111.114 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -62.28 -37.93 87.39 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.104 0.961 . . . . 0.0 113.02 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -35.11 65.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.75 1.159 . . . . 0.0 112.39 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.38 -39.01 48.75 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.318 -0.864 . . . . 0.0 111.546 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -53.87 -23.09 11.4 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.65 -20.72 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.417 1.087 . . . . 0.0 112.71 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -120.09 -32.48 4.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.703 2.001 . . . . 0.0 112.428 -173.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -114.17 -28.91 7.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.083 1.353 . . . . 0.0 112.228 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.27 142.95 33.63 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 125.34 1.448 . . . . 0.0 111.589 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.45 177.4 9.01 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.15 -52.35 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.063 1.745 . . . . 0.0 113.508 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -59.95 -27.01 66.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.509 1.524 . . . . 0.0 112.888 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.69 -46.49 9.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.213 1.405 . . . . 0.0 111.811 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.9 mm -52.35 -47.54 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.186 1.394 . . . . 0.0 110.749 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.56 81.14 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.5 -46.29 76.73 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.327 -0.858 . . . . 0.0 110.094 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.7 t -51.05 -63.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.581 1.152 . . . . 0.0 110.986 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -62.15 -48.91 78.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.579 1.952 . . . . 0.0 111.373 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -52.86 -51.75 59.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.25 0.62 . . . . 0.0 109.942 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.86 -41.36 97.74 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.68 -50.53 73.49 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.946 0.794 . . . . 0.0 112.501 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.9 mt -74.44 -19.33 60.44 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -35.24 72.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.902 1.281 . . . . 0.0 111.899 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 -28.83 14.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.665 1.186 . . . . 0.0 111.991 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.67 17.8 74.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.093 1.33 . . . . 0.0 113.997 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -151.42 179.31 8.45 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.606 1.962 . . . . 0.0 111.664 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -8.86 33.62 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.523 1.529 . . . . 0.0 114.383 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -94.99 57.08 2.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.41 1.884 . . . . 0.0 110.669 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.74 140.65 46.83 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.981 0.912 . . . . 0.0 111.437 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -65.24 166.1 10.4 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.888 0.475 . . . . 0.0 110.946 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -48.44 -46.47 37.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.054 0.942 . . . . 0.0 112.575 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.53 -52.57 49.37 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.038 0.827 . . . . 0.0 113.624 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -68.0 -41.12 82.76 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.952 1.376 . . . . 0.0 112.056 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -56.82 -33.91 67.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.44 1.496 . . . . 0.0 113.101 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -50.71 -59.54 3.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.024 1.33 . . . . 0.0 112.78 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttm -76.42 -38.54 55.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.101 0.56 . . . . 0.0 112.084 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.46 -46.77 73.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.641 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -50.75 -39.8 53.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.046 1.338 . . . . 0.0 112.679 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -50.57 26.78 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.522 1.129 . . . . 0.0 111.256 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.04 69.77 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -65.02 -54.8 24.67 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.347 2.259 . . . . 0.0 110.898 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t -58.25 -21.81 49.91 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.649 1.18 . . . . 0.0 112.603 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -92.27 -42.12 10.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.547 1.539 . . . . 0.0 112.967 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.8 tp -46.74 -58.96 3.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.477 1.511 . . . . 0.0 110.23 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -19.51 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -61.57 -46.04 91.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.927 1.691 . . . . 0.0 112.044 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.7 -48.97 11.8 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.948 0.88 . . . . 0.0 109.597 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.39 -18.52 61.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.08 1.752 . . . . 0.0 113.11 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -43.36 -37.96 2.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.243 2.617 . . . . 0.0 113.398 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -61.41 2.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.11 1.364 . . . . 0.0 111.803 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.62 -24.63 58.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -43.98 50.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.58 1.152 . . . . 0.0 111.42 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.29 33.29 0.82 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.23 2.212 . . . . 0.0 113.78 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.47 -166.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.556 2.342 . . . . 0.0 111.381 -168.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.2 m -67.29 159.8 28.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.442 1.097 . . . . 0.0 111.723 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.11 -27.89 48.53 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.305 -0.872 . . . . 0.0 113.032 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 -27.9 13.07 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.465 175.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.75 -57.14 11.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 120.462 1.483 . . . . 0.0 109.924 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mt -81.25 -42.0 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.734 0.814 . . . . 0.0 111.687 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -57.03 -46.49 82.34 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.459 0.704 . . . . 0.0 111.682 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -32.82 62.32 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.95 -19.0 15.61 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.18 1.355 . . . . 0.0 113.032 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.34 -36.69 66.56 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.383 0.992 . . . . 0.0 111.301 174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -64.19 -25.42 68.07 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 0.0 112.731 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -91.22 -16.02 28.33 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.779 2.031 . . . . 0.0 113.191 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.6 mt -95.59 -67.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.636 1.174 . . . . 0.0 110.831 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.58 -14.21 59.71 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.485 1.114 . . . . 0.0 112.727 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 62.2 80.07 0.24 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.357 2.663 . . . . 0.0 114.257 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.98 -64.54 1.25 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 112.91 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.867 2.067 . . . . 0.0 114.559 177.045 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 CA-C-O 119.563 -0.576 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -107.27 -47.68 3.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.579 1.152 . . . . 0.0 111.746 -176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -62.57 -27.21 69.02 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.838 1.255 . . . . 0.0 113.134 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -45.61 93.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.428 1.891 . . . . 0.0 112.431 175.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.03 -121.98 6.64 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.687 1.613 . . . . 0.0 112.496 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -110.63 168.77 9.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.116 1.766 . . . . 0.0 112.077 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 t -75.83 -30.6 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.826 0.851 . . . . 0.0 112.883 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.61 -13.63 7.3 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.967 1.746 . . . . 0.0 114.674 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.18 -176.14 2.88 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.049 2.14 . . . . 0.0 111.429 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -111.91 -71.39 0.76 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.618 1.567 . . . . 0.0 111.301 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -159.68 -37.12 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.217 1.407 . . . . 0.0 112.058 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.43 116.38 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.729 1.212 . . . . 0.0 112.219 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.93 177.28 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 126.056 1.743 . . . . 0.0 112.095 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -114.95 177.27 4.71 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.687 1.995 . . . . 0.0 111.128 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.43 -29.74 6.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.294 1.038 . . . . 0.0 113.708 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.15 -56.3 21.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.981 1.313 . . . . 0.0 113.108 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -42.89 83.82 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.879 174.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.36 -28.63 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.814 0.696 . . . . 0.0 110.936 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -48.66 16.66 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.274 -1.516 . . . . 0.0 111.665 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.53 -52.66 62.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.142 0.977 . . . . 0.0 112.594 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.98 -40.61 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.099 0.96 . . . . 0.0 111.761 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.96 -33.2 72.83 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.375 0.67 . . . . 0.0 112.254 174.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 t -74.35 -29.62 61.65 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.414 1.085 . . . . 0.0 112.583 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.63 -53.01 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.962 -1.086 . . . . 0.0 111.455 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.36 -9.21 59.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -26.25 50.9 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.0 147.72 49.76 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.984 0.914 . . . . 0.0 112.62 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -112.45 -5.9 14.04 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.037 1.335 . . . . 0.0 114.353 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -92.73 10.82 29.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.265 1.426 . . . . 0.0 112.97 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.12 -10.05 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.742 1.617 . . . . 0.0 112.943 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -42.45 104.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.841 2.456 . . . . 0.0 112.679 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.29 151.3 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.517 0.727 . . . . 0.0 111.569 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.42 145.16 56.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.046 0.938 . . . . 0.0 111.754 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 p -66.32 -41.74 89.23 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.956 1.302 . . . . 0.0 113.872 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.9 m -65.57 -42.83 91.33 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.279 -0.888 . . . . 0.0 111.268 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -75.49 -25.0 56.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.833 0.853 . . . . 0.0 112.449 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CE3' HD13 ' A' ' 66' ' ' LEU . 6.8 t-105 -51.46 -50.89 58.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.884 1.22 . . . . 0.0 112.264 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.12 -31.27 51.77 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -78.69 -46.02 20.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.158 1.383 . . . . 0.0 111.23 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -58.34 -29.03 65.63 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.553 1.141 . . . . 0.0 112.366 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.68 -38.82 56.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.86 0.864 . . . . 0.0 110.463 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -65.34 -62.02 1.78 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.052 1.741 . . . . 0.0 112.469 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.5 -52.05 41.81 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.451 0.7 . . . . 0.0 111.204 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.72 -38.42 85.03 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.092 -0.956 . . . . 0.0 113.089 178.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mtt -58.14 -29.46 65.57 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.048 1.294 . . . . 0.0 112.478 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.98 -42.24 33.45 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.189 0.995 . . . . 0.0 110.616 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -15.99 4.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.7 mm -72.08 -26.47 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.721 1.208 . . . . 0.0 112.628 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 -27.77 5.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.172 1.389 . . . . 0.0 113.358 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 p -106.78 -28.81 9.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.827 1.251 . . . . 0.0 111.854 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.2 154.41 51.83 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-O 122.377 0.987 . . . . 0.0 111.632 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 178.96 5.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.906 -1.147 . . . . 0.0 112.55 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.64 -48.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.856 1.262 . . . . 0.0 113.278 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -63.62 -28.96 70.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.032 1.333 . . . . 0.0 112.291 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -82.97 -49.08 9.97 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.61 1.164 . . . . 0.0 112.126 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.8 mm -49.59 -52.68 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.744 1.618 . . . . 0.0 112.211 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.68 77.57 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.76 -31.07 70.71 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.556 -1.34 . . . . 0.0 113.28 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -65.3 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 123.961 0.904 . . . . 0.0 109.613 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -30.58 62.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.47 -57.21 13.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 126.121 1.768 . . . . 0.0 110.421 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -49.04 68.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.275 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.19 -38.41 70.92 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.24 -50.53 38.84 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.02 -22.78 64.04 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.545 -0.722 . . . . 0.0 112.846 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.422 HD13 ' CE3' ' A' ' 37' ' ' TRP . 1.7 mt -55.81 -29.99 60.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.459 1.504 . . . . 0.0 113.053 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -25.83 13.64 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.055 1.342 . . . . 0.0 113.362 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.64 14.31 82.18 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.747 1.165 . . . . 0.0 114.47 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.71 166.63 30.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.196 1.798 . . . . 0.0 111.235 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -28.29 69.66 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.73 71.3 4.21 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.642 1.977 . . . . 0.0 111.405 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.55 150.51 44.69 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.226 -0.922 . . . . 0.0 112.164 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.7 m -64.15 153.7 36.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.049 0.54 . . . . 0.0 110.002 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.22 -41.76 60.51 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.27 0.628 . . . . 0.0 112.294 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.14 52.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.171 0.891 . . . . 0.0 113.465 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.77 -44.79 76.62 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.029 1.415 . . . . 0.0 111.328 175.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.57 -34.91 27.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.726 1.21 . . . . 0.0 112.995 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -59.54 4.28 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.675 1.59 . . . . 0.0 112.844 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.0 ttm -76.36 -36.8 57.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.236 0.471 . . . . 0.0 112.092 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.19 -48.48 64.99 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.936 0.894 . . . . 0.0 111.025 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.23 -33.73 54.11 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.498 1.045 . . . . 0.0 112.821 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -52.54 10.25 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.377 1.071 . . . . 0.0 110.927 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.07 71.3 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.41 -55.85 23.82 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.444 2.298 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -19.44 57.65 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.638 0.775 . . . . 0.0 112.775 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.1 mt -92.23 -38.96 11.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.377 1.471 . . . . 0.0 112.683 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -50.23 -57.43 7.82 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.839 1.256 . . . . 0.0 110.715 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -14.22 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -44.56 79.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.305 1.842 . . . . 0.0 112.225 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.3 -48.83 10.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.869 0.843 . . . . 0.0 110.051 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.19 -19.7 63.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 113.097 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.85 1.84 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.82 2.448 . . . . 0.0 113.672 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -67.29 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.235 1.414 . . . . 0.0 111.806 176.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.25 -22.36 63.84 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -46.45 60.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.474 1.109 . . . . 0.0 111.116 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 46.46 30.59 1.11 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.857 1.663 . . . . 0.0 114.146 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -167.07 1.43 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.077 2.151 . . . . 0.0 111.955 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.3 m -63.04 156.2 25.47 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.365 1.066 . . . . 0.0 111.379 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -55.53 -27.37 48.46 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.321 -0.862 . . . . 0.0 112.907 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -53.47 -23.5 10.36 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.409 1.484 . . . . 0.0 112.774 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.55 -59.89 4.5 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.106 1.321 . . . . 0.0 109.709 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -77.83 -40.5 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.82 0.848 . . . . 0.0 111.775 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.51 -46.84 80.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.685 0.794 . . . . 0.0 111.429 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.1 m -74.56 -33.09 62.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.946 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -25.24 18.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.863 1.665 . . . . 0.0 112.786 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.3 mt -55.77 -32.25 63.3 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.494 -0.754 . . . . 0.0 111.622 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -29.83 70.48 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.136 0.974 . . . . 0.0 113.605 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.66 -29.19 18.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.762 2.025 . . . . 0.0 112.103 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.75 -63.87 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.318 1.447 . . . . 0.0 110.496 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.21 5.13 35.63 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.343 1.857 . . . . 0.0 112.884 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.5 t30 54.48 47.07 23.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.313 2.245 . . . . 0.0 113.691 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mt -84.18 -27.23 28.21 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.272 1.429 . . . . 0.0 111.975 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.375 1.87 . . . . 0.0 112.821 -176.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -128.38 114.14 16.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.227 1.411 . . . . 0.0 111.016 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -117.4 134.63 54.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.124 1.77 . . . . 0.0 111.098 177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.9 mtm -145.89 137.67 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.987 2.115 . . . . 0.0 110.432 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.13 -97.09 0.15 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.111 1.338 . . . . 0.0 112.274 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -81.8 168.0 18.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.762 1.225 . . . . 0.0 112.617 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 t -63.08 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.991 1.316 . . . . 0.0 112.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.36 -21.8 3.81 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.962 1.744 . . . . 0.0 114.446 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.11 -175.36 3.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.765 1.626 . . . . 0.0 111.085 174.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -87.22 0.64 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.435 1.894 . . . . 0.0 109.14 175.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -137.73 -31.52 0.78 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.347 1.459 . . . . 0.0 113.168 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -61.28 107.81 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.561 1.545 . . . . 0.0 112.381 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.01 175.44 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.306 1.842 . . . . 0.0 112.4 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.6 p -115.81 179.29 4.02 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.54 2.336 . . . . 0.0 111.009 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.49 -25.83 7.25 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -56.86 -56.23 24.32 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.74 1.155 . . . . 0.0 112.999 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.36 89.42 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.224 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -55.92 -31.64 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 119.179 0.9 . . . . 0.0 111.768 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -42.94 37.03 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.328 -1.483 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.45 -52.51 52.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.092 0.957 . . . . 0.0 112.782 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.81 -42.94 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.495 1.518 . . . . 0.0 111.889 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -57.23 -44.06 83.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.902 0.774 . . . . 0.0 111.628 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -60.3 -23.7 64.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.306 1.442 . . . . 0.0 113.89 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.22 -47.23 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.575 1.15 . . . . 0.0 110.455 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -15.9 41.29 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -56.11 -24.94 43.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 114.144 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.56 121.74 28.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.041 1.336 . . . . 0.0 112.344 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -81.83 -0.68 44.54 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 0.0 114.18 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -87.75 17.89 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.656 1.983 . . . . 0.0 113.422 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.6 pp -101.04 -4.43 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.807 2.043 . . . . 0.0 112.822 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -46.6 104.16 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.218 2.207 . . . . 0.0 112.825 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.46 129.86 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.581 1.152 . . . . 0.0 109.868 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.06 140.95 58.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.758 0.823 . . . . 0.0 111.97 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -59.89 -34.98 73.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.216 1.407 . . . . 0.0 114.627 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -61.74 -43.94 97.87 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.523 -0.736 . . . . 0.0 111.06 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.3 m -81.66 -23.72 36.74 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.458 1.103 . . . . 0.0 112.56 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -51.43 -45.04 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.751 1.22 . . . . 0.0 112.826 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -51.85 -33.88 38.23 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.149 0.98 . . . . 0.0 112.873 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -86.87 -40.28 15.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.269 1.828 . . . . 0.0 112.512 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -35.9 60.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.29 1.036 . . . . 0.0 112.117 175.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.41 -42.32 63.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.046 0.939 . . . . 0.0 110.958 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -63.98 -58.84 5.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.603 1.561 . . . . 0.0 112.683 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.06 -50.49 66.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.365 0.53 . . . . 0.0 110.764 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -59.81 -37.48 79.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.997 0.919 . . . . 0.0 113.157 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mtt -57.91 -31.69 67.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.737 1.153 . . . . 0.0 112.359 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -80.92 -34.98 32.98 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.274 -0.892 . . . . 0.0 111.512 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -15.65 29.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.284 -0.885 . . . . 0.0 113.064 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mm -72.31 -25.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.627 1.103 . . . . 0.0 112.619 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.01 -26.42 5.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.502 1.521 . . . . 0.0 114.024 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -28.79 8.66 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.034 1.333 . . . . 0.0 112.112 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 141.39 31.02 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 124.812 1.196 . . . . 0.0 110.815 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.46 176.43 8.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.16 -1.02 . . . . 0.0 112.105 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.36 -49.9 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.707 1.603 . . . . 0.0 112.225 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -58.59 -26.77 63.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.761 1.224 . . . . 0.0 112.842 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -86.74 -46.02 10.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.922 1.289 . . . . 0.0 113.3 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -50.75 -48.89 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 121.071 1.759 . . . . 0.0 111.367 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.5 84.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.31 -45.88 86.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.756 0.707 . . . . 0.0 110.624 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.9 t -52.52 -64.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.685 1.194 . . . . 0.0 111.36 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -35.21 68.62 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -60.48 -54.34 46.71 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.391 1.477 . . . . 0.0 109.803 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.49 -52.65 36.33 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.154 0.581 . . . . 0.0 110.159 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.68 -39.62 71.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 175.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.25 -50.59 63.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.926 -1.109 . . . . 0.0 113.517 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.62 -27.06 65.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.093 0.86 . . . . 0.0 112.689 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.58 -31.48 68.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.183 1.393 . . . . 0.0 113.116 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -30.4 10.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.577 1.551 . . . . 0.0 112.429 177.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.73 21.57 69.3 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.527 1.06 . . . . 0.0 114.27 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.93 163.95 31.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.749 1.62 . . . . 0.0 110.983 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.19 -37.17 72.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.188 0.995 . . . . 0.0 112.854 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.46 81.0 5.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.205 1.402 . . . . 0.0 109.989 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.96 162.27 11.59 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.115 0.566 . . . . 0.0 111.61 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 m -59.91 147.26 39.26 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.666 -0.646 . . . . 0.0 110.494 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -49.59 -43.55 46.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.991 0.917 . . . . 0.0 112.037 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.11 99.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.404 1.002 . . . . 0.0 114.515 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.69 -44.92 65.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.545 1.173 . . . . 0.0 111.035 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -51.76 -31.19 25.72 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.241 1.417 . . . . 0.0 112.825 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -53.72 -59.52 4.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.782 1.633 . . . . 0.0 112.521 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttm -76.15 -35.32 59.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.897 0.879 . . . . 0.0 111.895 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.32 -47.62 75.38 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.959 -0.543 . . . . 0.0 111.446 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -53.49 -34.19 57.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.209 0.913 . . . . 0.0 112.359 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -72.73 -54.42 9.0 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.925 1.29 . . . . 0.0 110.54 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.2 69.46 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -61.5 -49.44 76.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.556 1.942 . . . . 0.0 111.371 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -63.02 -22.74 67.06 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.25 -35.94 13.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.034 2.134 . . . . 0.0 113.546 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.4 tp -50.44 -58.1 6.51 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.78 1.632 . . . . 0.0 109.778 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -20.17 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.831 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -55.93 26.13 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -177.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.06 -46.52 77.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.886 1.274 . . . . 0.0 111.27 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.0 -18.08 64.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.5 t -47.11 -31.76 3.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.724 2.409 . . . . 0.0 113.192 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -70.19 0.12 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.199 1.4 . . . . 0.0 112.578 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.69 -17.58 60.65 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.79 -46.83 42.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.166 1.386 . . . . 0.0 111.529 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 t70 48.55 28.13 1.66 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 126.572 1.949 . . . . 0.0 114.194 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.48 -166.97 1.91 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 111.902 -169.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -69.04 159.97 31.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.722 1.209 . . . . 0.0 112.051 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.46 -27.59 57.31 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.034 -1.041 . . . . 0.0 112.976 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -23.99 16.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.975 1.31 . . . . 0.0 112.302 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -59.81 4.46 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.414 1.461 . . . . 0.0 109.039 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 mt -77.9 -41.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.399 1.08 . . . . 0.0 111.934 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.8 -46.35 87.78 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.818 0.847 . . . . 0.0 111.779 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -74.8 -32.18 61.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.693 0.797 . . . . 0.0 112.56 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -25.83 12.14 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.107 1.322 . . . . 0.0 113.033 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.2 mt -52.75 -41.31 63.9 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.984 -1.073 . . . . 0.0 113.332 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.73 -22.55 66.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -29.6 17.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.887 2.475 . . . . 0.0 112.187 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.4 mt -83.78 -66.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.69 1.196 . . . . 0.0 111.038 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -76.81 -14.27 59.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 -176.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 60.01 71.66 0.56 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.757 2.423 . . . . 0.0 113.349 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -71.63 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.608 1.163 . . . . 0.0 111.531 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 128.084 2.554 . . . . 0.0 115.755 -176.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -142.5 46.21 1.6 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.686 1.594 . . . . 0.0 112.5 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -88.06 134.1 33.82 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.814 1.246 . . . . 0.0 111.65 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 mtt -121.49 153.14 38.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.401 1.881 . . . . 0.0 110.741 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.23 -94.89 0.1 OUTLIER Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.425 1.012 . . . . 0.0 111.353 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -145.0 -73.22 0.25 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.8 1.24 . . . . 0.0 112.171 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 t -87.99 -37.47 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 118.984 0.811 . . . . 0.0 112.703 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.88 -8.78 6.08 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.5 1.524 . . . . 0.0 114.947 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.07 177.22 6.49 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.692 1.997 . . . . 0.0 111.585 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -109.09 -61.2 1.65 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.203 1.801 . . . . 0.0 112.085 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.22 -29.78 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.42 1.088 . . . . 0.0 112.639 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 tp -57.2 106.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.748 1.619 . . . . 0.0 112.76 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -142.81 177.75 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 112.618 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -118.83 178.23 4.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.535 1.934 . . . . 0.0 110.413 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.96 -29.38 12.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.154 0.982 . . . . 0.0 113.534 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.33 -54.5 46.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.37 1.068 . . . . 0.0 112.721 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.81 -33.49 76.11 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.674 1.19 . . . . 0.0 111.594 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.39 -34.49 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.77 0.714 . . . . 0.0 111.262 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.99 -31.33 64.44 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.249 -1.532 . . . . 0.0 112.736 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -75.44 -52.42 10.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.106 0.962 . . . . 0.0 112.528 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.79 -39.77 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.43 1.092 . . . . 0.0 112.289 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.47 -27.51 67.61 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 -24.08 39.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.324 1.45 . . . . 0.0 113.452 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.61 -53.11 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.64 1.176 . . . . 0.0 110.594 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -10.18 59.75 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -26.15 59.79 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.84 146.83 45.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.268 1.027 . . . . 0.0 112.725 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -109.8 -5.72 15.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.012 1.325 . . . . 0.0 114.137 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -93.05 6.24 48.63 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.479 1.912 . . . . 0.0 113.024 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.74 -9.43 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.783 2.033 . . . . 0.0 113.597 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -48.49 106.83 0.11 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.72 2.008 . . . . 0.0 113.072 -172.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.09 135.09 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.766 0.827 . . . . 0.0 110.6 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 143.62 52.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.043 1.337 . . . . 0.0 112.22 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 m -60.11 -42.5 94.84 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.5 m -59.79 -40.17 87.39 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.379 -0.826 . . . . 0.0 111.501 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -81.6 -26.14 35.15 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.576 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -56.11 -48.03 76.95 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.373 1.469 . . . . 0.0 112.276 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -52.33 -34.46 47.27 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.651 0.781 . . . . 0.0 112.166 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -82.09 -41.7 20.19 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.37 1.868 . . . . 0.0 111.573 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.08 64.6 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.512 1.525 . . . . 0.0 113.026 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.6 -42.09 67.3 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.602 0.761 . . . . 0.0 111.079 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -65.49 -58.03 6.82 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.458 1.503 . . . . 0.0 112.442 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -52.62 -52.04 57.29 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.577 0.626 . . . . 0.0 111.133 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.1 m-30 -59.46 -37.42 78.11 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.382 -0.818 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -30.89 67.27 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.479 1.036 . . . . 0.0 112.849 174.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.35 -41.22 28.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 111.032 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -54.24 -18.46 3.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mm -69.1 -26.88 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.845 1.258 . . . . 0.0 112.574 177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -28.5 4.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.327 1.451 . . . . 0.0 113.362 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -107.05 -24.57 11.93 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.448 1.099 . . . . 0.0 112.366 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.72 157.51 50.59 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 124.197 0.903 . . . . 0.0 111.867 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.32 177.68 6.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.139 -1.03 . . . . 0.0 112.484 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.16 -46.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.302 1.041 . . . . 0.0 111.626 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.53 -38.31 89.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.982 0.913 . . . . 0.0 110.58 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.92 -49.32 30.29 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.2 mm -48.2 -50.35 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.928 1.694 . . . . 0.0 111.685 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.45 96.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -63.46 -40.87 98.27 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.092 -1.005 . . . . 0.0 111.996 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -56.3 -63.38 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.526 1.13 . . . . 0.0 110.454 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -61.07 -54.46 44.42 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.834 1.654 . . . . 0.0 110.339 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -49.75 -53.41 25.13 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.94 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.21 -41.01 83.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -50.6 68.23 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.189 -0.945 . . . . 0.0 113.024 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mp -70.67 -27.14 63.8 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 -36.28 71.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.461 1.104 . . . . 0.0 111.797 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.3 24.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.8 0.84 . . . . 0.0 111.942 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.65 19.63 79.25 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.771 1.176 . . . . 0.0 114.366 -175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.58 169.5 23.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.088 1.355 . . . . 0.0 111.864 -178.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -69.29 -40.27 77.82 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.661 1.184 . . . . 0.0 113.349 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.54 87.66 6.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.551 1.541 . . . . 0.0 110.894 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.94 161.8 30.44 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.243 0.544 . . . . 0.0 112.069 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.8 m -64.64 151.44 44.82 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.773 0.429 . . . . 0.0 110.218 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -51.77 -39.79 59.21 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.562 0.745 . . . . 0.0 111.998 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.11 -52.78 50.73 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 123.941 0.782 . . . . 0.0 112.999 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.97 -40.12 90.98 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.659 1.23 . . . . 0.0 112.006 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -51.2 -31.56 20.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.775 1.23 . . . . 0.0 112.613 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -55.69 -58.95 5.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.672 1.589 . . . . 0.0 112.77 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -76.35 -38.71 55.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.628 0.771 . . . . 0.0 112.594 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 tp -54.69 -47.54 73.54 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.557 0.743 . . . . 0.0 111.595 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.52 -38.78 21.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.13 1.372 . . . . 0.0 112.766 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -54.38 9.14 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.455 1.102 . . . . 0.0 110.921 175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.24 64.63 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -64.04 -54.52 32.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.126 2.17 . . . . 0.0 111.084 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -60.82 -22.56 64.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.314 1.046 . . . . 0.0 112.676 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -92.41 -35.1 13.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.228 1.411 . . . . 0.0 113.291 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.4 -58.04 7.96 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.826 1.651 . . . . 0.0 110.067 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -21.99 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.586 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -63.53 -53.57 49.83 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.154 1.382 . . . . 0.0 112.362 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.4 -46.14 77.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.915 0.886 . . . . 0.0 111.569 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.09 -18.05 63.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 113.658 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 t -46.33 -33.86 4.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.959 2.504 . . . . 0.0 113.283 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -70.45 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.607 1.563 . . . . 0.0 112.58 175.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.42 -18.71 61.11 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.09 -46.63 44.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 111.293 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.9 t0 46.06 33.27 1.64 Allowed 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.012 1.725 . . . . 0.0 113.802 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.23 -167.49 1.48 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.406 2.283 . . . . 0.0 111.811 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.5 m -67.39 158.22 32.21 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.79 1.236 . . . . 0.0 111.648 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -54.28 -29.45 47.31 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.212 -0.93 . . . . 0.0 112.751 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -27.67 8.56 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.399 1.48 . . . . 0.0 112.344 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.1 -59.14 5.05 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.535 1.516 . . . . 0.0 110.252 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.13 -42.28 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.72 0.808 . . . . 0.0 111.788 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.95 -46.89 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.483 0.713 . . . . 0.0 111.44 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -74.74 -32.56 62.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.883 -1.056 . . . . 0.0 112.78 175.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.49 -25.74 17.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.3 1.409 . . . . 0.0 112.774 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.7 mt -53.24 -36.91 61.6 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.279 0.945 . . . . 0.0 111.993 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -63.49 -34.41 77.71 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -81.55 -29.17 33.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.333 1.853 . . . . 0.0 112.525 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.7 mt -77.61 -62.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.021 1.328 . . . . 0.0 109.961 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.28 8.41 21.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.046 1.738 . . . . 0.0 113.3 -176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 48.24 56.55 7.25 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.504 2.322 . . . . 0.0 113.374 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 mt -94.1 -35.78 12.39 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.29 1.436 . . . . 0.0 112.797 -175.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.737 2.015 . . . . 0.0 111.471 -179.198 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -142.1 -34.5 0.46 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.267 1.427 . . . . 0.0 112.856 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 tp -59.82 105.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.112 1.365 . . . . 0.0 112.179 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.1 176.58 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.949 1.7 . . . . 0.0 112.102 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -119.67 179.42 4.24 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.187 2.195 . . . . 0.0 110.896 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -27.35 7.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -53.73 -60.59 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.085 1.754 . . . . 0.0 112.373 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -40.88 89.02 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.22 1.008 . . . . 0.0 110.536 175.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 91' ' ' LEU . 94.0 t -54.67 -49.24 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.634 1.106 . . . . 0.0 111.082 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -55.88 -43.19 76.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.881 0.873 . . . . 0.0 111.895 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -64.37 -49.84 70.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.092 0.957 . . . . 0.0 111.574 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 24' ' ' ILE . 56.1 t -52.0 -52.76 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.422 1.489 . . . . 0.0 111.076 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.02 -42.51 63.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.624 0.37 . . . . 0.0 111.499 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -25.01 63.27 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.974 1.31 . . . . 0.0 114.497 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 21' ' ' VAL . 23.6 mt -73.14 -45.29 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.716 1.606 . . . . 0.0 110.723 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -88.76 -12.7 41.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -30.17 41.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.014 1.726 . . . . 0.0 113.279 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.81 143.03 38.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.346 1.058 . . . . 0.0 112.748 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -105.84 -8.79 17.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.351 1.46 . . . . 0.0 113.923 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.3 6.78 28.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.896 1.679 . . . . 0.0 112.893 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 65' ' ' LEU . 2.3 pp -78.82 -11.18 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.319 1.848 . . . . 0.0 113.55 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -40.68 108.9 0.1 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.287 2.235 . . . . 0.0 112.117 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.3 p -72.91 151.13 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.41 0.684 . . . . 0.0 111.568 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.86 149.44 47.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.281 1.033 . . . . 0.0 112.165 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 p -66.4 -44.61 82.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.829 1.251 . . . . 0.0 114.057 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -59.25 -40.49 86.14 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.19 -0.944 . . . . 0.0 111.363 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.4 m -79.09 -27.18 42.93 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 112.69 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -52.56 -43.93 65.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.986 1.314 . . . . 0.0 112.607 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -51.69 -44.08 62.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.196 0.999 . . . . 0.0 112.577 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -79.47 -38.7 33.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.937 1.295 . . . . 0.0 111.858 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' A' ' 32' ' ' VAL . 6.2 mmt85 -54.63 -35.7 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.756 1.223 . . . . 0.0 112.289 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -53.62 -43.36 68.62 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.606 0.762 . . . . 0.0 110.668 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -63.39 -59.14 5.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.534 1.534 . . . . 0.0 112.762 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.13 -52.18 59.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.397 0.544 . . . . 0.0 111.001 176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.629 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.6 m-30 -58.56 -37.87 76.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.069 0.948 . . . . 0.0 112.788 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.54 -33.22 67.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.699 1.136 . . . . 0.0 112.482 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -80.43 -37.23 32.45 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.275 -0.891 . . . . 0.0 111.191 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -17.82 2.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.697 HD11 HG11 ' A' ' 59' ' ' VAL . 4.3 mm -74.42 -18.86 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.651 1.181 . . . . 0.0 113.049 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -121.59 -36.11 3.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.737 2.015 . . . . 0.0 112.216 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 t -113.64 -20.78 11.07 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.077 1.351 . . . . 0.0 112.993 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.15 143.73 32.39 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 122.441 1.023 . . . . 0.0 111.299 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.3 m -77.79 170.41 16.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.868 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.4 p -47.6 -49.75 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.415 1.886 . . . . 0.0 113.617 174.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -60.26 -27.74 67.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.432 1.093 . . . . 0.0 112.587 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.5 mt-10 -83.38 -47.99 10.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.282 1.433 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -48.7 -48.57 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.505 1.502 . . . . 0.0 111.782 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.86 -42.54 98.05 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.23 -38.71 90.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.599 0.76 . . . . 0.0 111.86 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.697 HG11 HD11 ' A' ' 48' ' ' ILE . 95.2 t -59.02 -67.64 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.067 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -53.93 -35.38 61.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -62.45 -53.34 56.25 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.758 1.623 . . . . 0.0 111.005 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.02 -53.54 40.57 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 119.021 -0.514 . . . . 0.0 110.182 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mp -54.87 -38.78 67.96 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -50.05 68.52 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 30' ' ' ILE . 26.9 mt -71.19 -26.4 62.94 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.64 -34.69 71.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 113.005 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -29.48 21.38 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.655 1.182 . . . . 0.0 111.99 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.68 20.47 72.13 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.31 0.957 . . . . 0.0 113.671 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.93 173.45 13.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.072 1.749 . . . . 0.0 111.329 -175.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -60.43 2.3 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.933 1.293 . . . . 0.0 112.398 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.88 86.95 3.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.154 0.982 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HD22 ' A' ' 80' ' ' LEU . 23.4 mt -60.1 154.99 18.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.957 0.503 . . . . 0.0 111.678 -177.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -66.23 163.11 18.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.064 -0.397 . . . . 0.0 110.641 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.65 -38.96 61.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.365 0.666 . . . . 0.0 111.92 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.52 47.48 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.981 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -67.98 -41.43 82.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.699 1.749 . . . . 0.0 111.126 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -53.87 -33.97 57.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.563 1.145 . . . . 0.0 112.952 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -59.49 4.55 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.971 1.259 . . . . 0.0 113.096 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.9 ttm -76.38 -39.02 54.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.201 0.601 . . . . 0.0 112.181 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.823 HD22 HD12 ' A' ' 72' ' ' LEU . 2.9 tp -56.13 -44.16 78.89 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -49.32 -39.81 32.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.948 1.299 . . . . 0.0 112.567 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -73.97 -54.06 8.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.875 0.87 . . . . 0.0 111.091 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.34 63.76 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.475 HH11 HD21 ' A' ' 80' ' ' LEU . 14.4 mmm-85 -62.31 -53.73 50.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.908 2.083 . . . . 0.0 111.434 174.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -59.97 -22.42 62.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.459 0.704 . . . . 0.0 112.778 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.48 -34.81 13.95 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.686 1.594 . . . . 0.0 113.311 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 106' ' ' LEU . 16.5 tp -53.18 -59.82 4.08 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.622 1.569 . . . . 0.0 109.645 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -19.25 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -67.29 -51.28 54.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.971 1.708 . . . . 0.0 112.423 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 53' ' ' VAL . 2.3 pt-20 -70.47 -47.31 61.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.693 0.797 . . . . 0.0 110.764 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.777 HD22 HG13 ' A' ' 18' ' ' VAL . 69.7 mt -68.06 -16.49 64.05 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.41 1.084 . . . . 0.0 113.073 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.4 t -44.62 -37.06 3.37 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.12 2.568 . . . . 0.0 113.485 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.97 15.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.527 1.131 . . . . 0.0 112.188 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -76.28 -20.18 57.59 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -45.86 77.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.322 1.049 . . . . 0.0 111.884 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.66 37.67 3.48 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.46 1.904 . . . . 0.0 113.291 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -164.66 0.5 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.354 1.862 . . . . 0.0 112.213 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -65.39 160.75 21.24 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.101 1.361 . . . . 0.0 111.632 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -55.61 -28.11 53.34 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.021 -1.05 . . . . 0.0 113.082 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -27.58 13.39 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.831 1.653 . . . . 0.0 112.268 175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.93 -52.92 62.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.904 1.229 . . . . 0.0 111.5 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.18 -46.83 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.577 1.151 . . . . 0.0 112.293 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -56.3 -46.44 79.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.856 0.862 . . . . 0.0 111.734 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -73.88 -36.03 64.76 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.282 1.033 . . . . 0.0 112.121 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -56.19 -23.05 32.92 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.677 1.126 . . . . 0.0 112.758 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 87' ' ' LEU . 96.2 mt -53.17 -37.99 62.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.313 0.96 . . . . 0.0 111.406 175.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -61.73 -33.2 73.63 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.36 -25.53 39.13 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.781 2.033 . . . . 0.0 112.498 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 25' ' ' LEU . 18.9 mt -87.4 -61.15 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.762 1.225 . . . . 0.0 110.897 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.1 m-85 -80.45 2.41 25.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.56 1.544 . . . . 0.0 112.98 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.531 2.332 . . . . 0.0 113.393 -179.722 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 -36.21 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.988 1.315 . . . . 0.0 112.793 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.42 127.86 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.766 0.826 . . . . 0.0 110.527 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -148.25 175.3 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 126.921 2.088 . . . . 0.0 112.192 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -109.55 176.86 4.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.655 1.982 . . . . 0.0 110.583 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -23.52 7.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.837 1.255 . . . . 0.0 114.168 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.0 -54.02 51.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.108 1.363 . . . . 0.0 112.288 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -42.4 94.72 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.045 174.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 91' ' ' LEU . 46.4 t -55.0 -28.5 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.646 0.591 . . . . 0.0 110.952 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.3 -48.78 13.52 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.621 -1.3 . . . . 0.0 111.475 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.12 -50.56 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.06 0.944 . . . . 0.0 112.549 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.799 HG11 HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.16 -46.96 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.86 1.264 . . . . 0.0 112.155 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -56.89 -40.26 75.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.596 0.635 . . . . 0.0 111.061 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -29.33 70.44 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.077 1.351 . . . . 0.0 113.934 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.68 -56.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.996 0.918 . . . . 0.0 110.123 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -73.24 -15.06 61.44 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -28.42 39.69 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.858 1.263 . . . . 0.0 114.145 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.79 139.0 41.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.366 1.066 . . . . 0.0 112.897 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.16 -7.5 21.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 114.173 -177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -89.05 3.73 50.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.847 1.659 . . . . 0.0 113.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.63 -14.53 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.21 1.804 . . . . 0.0 113.949 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -52.39 104.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.145 2.178 . . . . 0.0 113.061 -171.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.644 HG11 ' HG3' ' A' ' 40' ' ' ARG . 58.3 t -70.52 143.71 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.703 0.801 . . . . 0.0 111.175 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 147.87 39.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.357 1.463 . . . . 0.0 113.475 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -36.16 82.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.984 1.314 . . . . 0.0 114.471 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.92 -43.36 98.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.063 0.945 . . . . 0.0 111.329 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -80.24 -25.23 39.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.726 1.21 . . . . 0.0 112.559 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -53.56 -43.4 68.42 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.79 1.236 . . . . 0.0 113.006 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -50.92 -42.14 59.27 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.845 0.858 . . . . 0.0 113.173 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.94 -38.92 26.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.777 1.231 . . . . 0.0 111.83 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.45 -37.24 67.47 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.016 1.326 . . . . 0.0 112.443 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.85 -42.23 62.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.666 0.786 . . . . 0.0 110.386 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.39 -56.39 11.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.778 1.231 . . . . 0.0 113.412 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.07 -49.39 73.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.027 0.83 . . . . 0.0 111.654 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.679 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.1 m-30 -60.18 -36.09 76.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.872 0.869 . . . . 0.0 112.626 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -32.73 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.61 1.095 . . . . 0.0 112.081 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.74 -36.74 36.87 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.059 -1.026 . . . . 0.0 111.452 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -54.2 -22.41 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.712 HD11 HG11 ' A' ' 59' ' ' VAL . 5.3 mm -67.27 -19.43 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.211 1.404 . . . . 0.0 112.565 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -122.63 -34.14 3.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.682 1.993 . . . . 0.0 112.464 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.35 -26.19 9.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.594 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.28 144.65 32.2 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 125.368 1.461 . . . . 0.0 111.352 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -84.4 -177.25 6.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.325 -0.938 . . . . 0.0 113.006 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.34 -52.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.844 1.658 . . . . 0.0 113.925 175.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -60.77 -28.05 68.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.813 1.245 . . . . 0.0 112.203 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -85.87 -50.7 6.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.217 1.407 . . . . 0.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.0 -49.21 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.527 1.531 . . . . 0.0 111.156 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -62.96 -33.37 75.24 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.49 -33.47 64.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.797 -1.189 . . . . 0.0 111.855 174.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 48' ' ' ILE . 98.4 t -62.09 -62.88 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.649 1.18 . . . . 0.0 111.118 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.28 -32.75 71.49 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -177.279 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -59.03 -54.89 41.98 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 126.628 1.971 . . . . 0.0 110.48 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -53.05 52.45 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.487 0.492 . . . . 0.0 110.73 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.4 -47.87 66.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.837 1.255 . . . . 0.0 112.661 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 80' ' ' LEU . 1.6 m-85 -59.86 -50.6 73.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -69.39 -29.49 67.25 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.06 -26.5 64.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.702 1.201 . . . . 0.0 112.414 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -106.17 -32.27 8.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.767 1.227 . . . . 0.0 113.288 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 23.15 76.74 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.804 1.192 . . . . 0.0 113.854 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.25 157.3 47.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.379 1.472 . . . . 0.0 112.716 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -63.17 -34.93 78.7 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.62 1.968 . . . . 0.0 114.741 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.92 109.59 14.81 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.003 2.121 . . . . 0.0 109.028 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 64' ' ' TYR . 16.9 mt -72.07 172.89 9.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.517 0.727 . . . . 0.0 112.297 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.38 162.97 5.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.1 0.56 . . . . 0.0 112.042 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -50.22 -45.08 53.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.778 0.831 . . . . 0.0 112.449 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.0 -52.72 26.63 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.012 0.815 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.21 -37.63 83.69 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.072 -1.252 . . . . 0.0 112.432 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.93 64.06 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.696 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -56.31 22.13 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.796 1.18 . . . . 0.0 111.785 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.0 ttm -76.4 -37.75 56.68 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.963 0.505 . . . . 0.0 111.95 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 64' ' ' TYR . 6.7 tp -56.04 -49.09 74.71 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.383 0.673 . . . . 0.0 111.782 176.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.24 -39.74 57.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.772 1.229 . . . . 0.0 112.415 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -74.27 -49.43 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.091 0.956 . . . . 0.0 111.118 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.27 75.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.237 1.015 . . . . 0.0 113.411 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.47 69.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.281 2.232 . . . . 0.0 110.989 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 t -61.01 -21.39 63.53 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.361 1.064 . . . . 0.0 112.749 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.4 -37.4 12.6 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 113.48 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' CD2' HD21 ' A' ' 106' ' ' LEU . 17.0 tp -48.69 -58.62 4.47 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.8 1.24 . . . . 0.0 110.924 175.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -70.2 -16.03 19.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -179.171 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -67.27 -49.45 64.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.344 1.858 . . . . 0.0 111.712 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.45 -48.37 34.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.55 0.69 . . . . 0.0 110.147 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.799 HD21 HG11 ' A' ' 21' ' ' VAL . 91.5 mt -64.71 -15.5 61.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.468 1.507 . . . . 0.0 113.502 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -23.03 6.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.659 1.984 . . . . 0.0 114.115 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -69.09 0.26 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.832 1.253 . . . . 0.0 111.868 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.58 -10.95 60.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -41.2 42.97 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.668 1.187 . . . . 0.0 112.393 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 42.81 32.54 0.4 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.626 2.371 . . . . 0.0 114.207 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -167.55 -165.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.657 2.383 . . . . 0.0 111.633 -167.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 m -73.04 166.29 23.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.344 1.458 . . . . 0.0 112.665 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -58.91 -28.4 66.16 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.686 -1.259 . . . . 0.0 112.923 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -24.62 18.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.264 1.426 . . . . 0.0 112.575 175.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.02 -59.69 5.06 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 121.055 1.752 . . . . 0.0 110.293 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.413 ' HB ' HG22 ' A' ' 88' ' ' ILE . 5.8 mt -76.19 -39.58 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.901 -0.499 . . . . 0.0 111.421 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG3' HG21 ' A' ' 88' ' ' ILE . 32.9 mt-10 -60.69 -49.0 79.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.736 0.814 . . . . 0.0 112.364 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -74.44 -30.5 61.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -55.95 -21.97 23.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.027 1.285 . . . . 0.0 112.717 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 110' ' ' PHE . 76.0 mt -54.2 -35.49 62.42 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.989 0.916 . . . . 0.0 112.892 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -27.71 27.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.607 1.563 . . . . 0.0 112.219 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 25' ' ' LEU . 9.0 mt -86.49 -67.81 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.376 1.071 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.662 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -78.16 -10.5 59.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.781 1.233 . . . . 0.0 113.415 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 128.305 2.642 . . . . 0.0 113.794 179.418 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 120.461 0.172 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.65 -32.65 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.721 1.209 . . . . 0.0 112.464 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.19 107.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.068 1.347 . . . . 0.0 111.922 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.36 176.26 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.101 1.76 . . . . 0.0 112.229 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 177.67 4.66 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.756 2.023 . . . . 0.0 110.342 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.95 -30.26 5.75 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.891 1.277 . . . . 0.0 113.532 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -52.4 -57.63 9.23 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.168 1.387 . . . . 0.0 113.585 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.57 -42.59 88.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.287 174.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 HD22 ' A' ' 91' ' ' LEU . 47.8 t -54.47 -31.6 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.639 0.587 . . . . 0.0 110.684 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -50.16 16.95 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 120.563 -1.336 . . . . 0.0 111.779 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.65 -52.95 63.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.567 1.147 . . . . 0.0 112.271 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -55.91 -45.29 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.817 1.247 . . . . 0.0 111.587 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -56.86 -43.69 81.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.809 0.731 . . . . 0.0 110.63 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -25.47 66.52 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.17 -53.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 110.226 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.835 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -76.54 -15.5 59.85 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 179.129 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -28.97 38.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.304 1.442 . . . . 0.0 113.927 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.5 141.4 38.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.483 1.113 . . . . 0.0 112.81 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.93 -13.82 16.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.204 1.401 . . . . 0.0 113.548 -176.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -84.61 3.62 36.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.319 1.847 . . . . 0.0 113.355 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -70.93 -13.3 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.175 1.79 . . . . 0.0 113.975 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -44.71 106.15 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.091 2.157 . . . . 0.0 112.608 -176.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.6 p -69.32 154.8 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.648 0.779 . . . . 0.0 112.042 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.23 148.61 51.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.195 0.998 . . . . 0.0 112.378 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -66.72 -38.28 86.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.1 m -65.54 -45.21 84.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.095 0.958 . . . . 0.0 110.855 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.1 m -72.56 -26.12 61.61 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.464 1.106 . . . . 0.0 112.792 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -52.91 -42.64 65.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.378 1.071 . . . . 0.0 112.571 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.88 -37.31 68.66 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.429 -0.795 . . . . 0.0 112.939 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -44.05 20.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.403 1.481 . . . . 0.0 111.388 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.616 ' HG3' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -50.94 -32.18 20.03 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.037 1.335 . . . . 0.0 113.178 174.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.4 -39.68 70.47 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.763 0.425 . . . . 0.0 111.075 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -65.0 -64.5 0.85 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.761 1.624 . . . . 0.0 112.455 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -54.31 -40.61 68.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.904 0.775 . . . . 0.0 112.218 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.9 m-30 -66.93 -39.04 87.23 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.992 174.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.5 mtt -59.66 -33.06 71.06 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.79 1.177 . . . . 0.0 112.207 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.14 -33.61 38.41 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.259 -0.9 . . . . 0.0 111.47 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -58.19 -13.66 5.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 59' ' ' VAL . 7.9 mm -72.96 -33.85 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.953 1.301 . . . . 0.0 112.885 177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -28.56 6.73 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.862 1.265 . . . . 0.0 113.416 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.08 -33.62 10.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.977 1.711 . . . . 0.0 111.165 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.79 51.8 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-O 122.71 1.172 . . . . 0.0 112.867 -173.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -88.4 176.01 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.624 -1.288 . . . . 0.0 111.859 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.41 -49.21 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.029 1.732 . . . . 0.0 112.748 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -59.37 -31.9 69.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.8 mt-10 -82.45 -48.29 11.25 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.618 1.167 . . . . 0.0 112.688 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 mm -48.76 -50.32 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.923 1.289 . . . . 0.0 111.308 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.74 -33.68 76.19 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.99 -34.56 71.51 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.83 -1.169 . . . . 0.0 112.106 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 48' ' ' ILE . 78.3 t -60.84 -64.11 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.06 1.344 . . . . 0.0 110.65 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.85 -33.74 70.79 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -60.56 -55.75 29.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 125.907 1.683 . . . . 0.0 110.565 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -51.52 64.22 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 123.497 0.498 . . . . 0.0 110.444 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.22 -44.84 68.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.494 1.118 . . . . 0.0 112.73 175.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.1 m-85 -59.4 -50.62 73.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 175.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 30' ' ' ILE . 17.9 mt -72.47 -29.16 63.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.76 -36.87 75.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.545 1.538 . . . . 0.0 112.001 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -82.84 -29.09 29.7 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 175.186 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.07 16.1 72.58 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.763 1.173 . . . . 0.0 114.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -154.99 160.59 41.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.14 1.376 . . . . 0.0 111.821 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -63.14 -39.41 94.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.644 1.578 . . . . 0.0 114.171 174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.41 77.7 8.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -59.1 152.32 20.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.362 0.665 . . . . 0.0 112.588 -179.168 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.403 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 t -67.19 154.54 41.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 122.66 0.384 . . . . 0.0 110.404 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -51.01 -42.53 60.47 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.594 0.758 . . . . 0.0 112.357 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 -52.09 51.1 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.434 1.016 . . . . 0.0 113.477 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.34 -37.78 86.12 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.218 -1.166 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -57.22 -30.69 64.8 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.996 1.318 . . . . 0.0 112.615 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -57.79 -56.74 18.05 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.772 1.169 . . . . 0.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.35 -37.63 57.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.464 0.705 . . . . 0.0 112.072 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 72' ' ' LEU . 1.8 tp -57.29 -47.47 81.38 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.049 0.94 . . . . 0.0 111.679 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.38 -39.28 46.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.743 1.217 . . . . 0.0 112.753 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -53.22 13.37 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.946 0.898 . . . . 0.0 110.935 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.81 66.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.989 0.915 . . . . 0.0 113.395 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -63.98 -55.2 24.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.08 2.152 . . . . 0.0 110.951 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -60.73 -20.16 60.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.293 1.037 . . . . 0.0 112.695 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 mt -92.39 -40.63 10.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.362 1.465 . . . . 0.0 112.809 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.702 HD21 HD21 ' A' ' 106' ' ' LEU . 14.4 tp -47.61 -60.06 2.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.594 1.557 . . . . 0.0 110.215 176.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.421 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.3 -18.47 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.193 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -63.59 -45.11 91.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.089 1.756 . . . . 0.0 112.059 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.44 -48.92 11.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 122.115 0.96 . . . . 0.0 109.455 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 21' ' ' VAL . 78.7 mt -62.5 -19.14 63.28 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.426 1.891 . . . . 0.0 113.095 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -42.61 -38.28 1.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 128.025 2.53 . . . . 0.0 113.195 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -59.58 4.62 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.8 1.24 . . . . 0.0 112.374 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.655 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.58 -22.84 50.32 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -46.1 48.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.849 1.26 . . . . 0.0 111.101 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.3 t70 47.83 29.37 1.58 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.101 2.16 . . . . 0.0 114.111 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -166.14 1.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.819 2.448 . . . . 0.0 111.155 -169.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 m -66.46 161.63 22.37 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.987 1.315 . . . . 0.0 112.385 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -55.52 -28.04 52.4 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.893 -1.129 . . . . 0.0 113.249 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -29.35 12.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.978 1.711 . . . . 0.0 112.404 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.26 -53.15 59.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.81 1.186 . . . . 0.0 111.619 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.18 -46.28 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.506 1.123 . . . . 0.0 112.371 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HG3' HG21 ' A' ' 88' ' ' ILE . 14.5 mt-10 -54.31 -46.47 72.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.472 0.709 . . . . 0.0 111.23 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -33.91 62.81 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.33 -24.27 42.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.245 1.384 . . . . 0.0 112.289 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.704 HD22 ' CE2' ' A' ' 110' ' ' PHE . 93.5 mt -55.26 -35.69 65.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.007 0.821 . . . . 0.0 111.697 175.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.86 -32.42 72.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.95 0.9 . . . . 0.0 112.785 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -80.73 -33.71 34.98 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.415 1.486 . . . . 0.0 111.716 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 25' ' ' LEU . 14.2 mt -76.41 -63.0 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.125 0.97 . . . . 0.0 111.103 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.704 ' CE2' HD22 ' A' ' 106' ' ' LEU . 6.1 m-85 -80.27 -0.76 37.86 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.182 1.393 . . . . 0.0 113.247 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 128.28 2.632 . . . . 0.0 113.433 -177.811 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.02 -40.62 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.286 1.434 . . . . 0.0 112.163 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.09 129.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.211 0.604 . . . . 0.0 110.398 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.683 HG21 HG11 ' A' ' 53' ' ' VAL . 2.9 pp -145.79 176.43 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.288 1.835 . . . . 0.0 112.324 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -111.94 171.35 7.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.273 1.829 . . . . 0.0 110.572 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -51.18 -31.09 18.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.808 1.243 . . . . 0.0 113.561 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.26 -52.06 60.23 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.087 1.355 . . . . 0.0 112.689 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.62 -32.11 71.76 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.16 0.984 . . . . 0.0 110.62 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.837 HG13 HD22 ' A' ' 91' ' ' LEU . 45.2 t -60.64 -42.69 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.853 0.861 . . . . 0.0 109.872 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -66.51 -28.83 68.86 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.371 -1.456 . . . . 0.0 113.199 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -77.51 -55.71 5.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.181 0.993 . . . . 0.0 112.553 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 13.1 p -53.46 -38.78 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.276 1.031 . . . . 0.0 111.818 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.473 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -60.1 -29.38 68.56 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -79.3 -28.29 42.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.751 1.221 . . . . 0.0 112.807 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.66 -53.6 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.295 1.038 . . . . 0.0 110.766 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.97 -9.29 59.67 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -56.63 -27.14 57.73 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.97 145.66 42.36 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.377 1.071 . . . . 0.0 112.791 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.8 mmmm -110.54 -2.85 16.27 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.47 4.82 52.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.622 1.169 . . . . 0.0 113.061 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 65' ' ' LEU . 2.1 pp -74.86 -16.21 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.007 1.723 . . . . 0.0 113.846 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -47.19 116.99 1.56 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.474 1.91 . . . . 0.0 113.072 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.755 HG11 ' HG3' ' A' ' 40' ' ' ARG . 86.7 t -85.6 132.98 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.722 0.809 . . . . 0.0 110.667 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.89 147.63 18.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.398 1.479 . . . . 0.0 113.458 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -58.57 -36.32 73.76 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.244 1.418 . . . . 0.0 114.533 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 m -60.64 -45.21 94.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.835 1.254 . . . . 0.0 111.57 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.4 m -78.61 -28.16 45.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 111.774 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -56.58 -47.31 79.83 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.342 1.457 . . . . 0.0 113.316 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -32.15 43.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.627 0.771 . . . . 0.0 112.164 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -85.41 -43.37 13.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.335 1.454 . . . . 0.0 111.238 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.755 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.58 -33.81 64.25 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.26 1.824 . . . . 0.0 112.576 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.96 -40.09 60.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.652 0.781 . . . . 0.0 110.383 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.43 -55.83 10.52 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 113.627 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.0 -49.95 70.21 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.041 0.837 . . . . 0.0 111.377 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -61.31 -34.94 76.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.863 0.865 . . . . 0.0 112.79 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.506 1.048 . . . . 0.0 111.924 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -79.12 -33.79 43.96 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.177 -0.952 . . . . 0.0 111.452 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -19.78 48.51 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.647 . . . . 0.0 112.532 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 59' ' ' VAL . 5.6 mm -70.61 -19.62 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.55 1.14 . . . . 0.0 112.349 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -121.35 -33.34 3.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.304 1.842 . . . . 0.0 112.341 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.0 p -113.28 -25.27 8.93 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.432 1.493 . . . . 0.0 112.689 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.94 150.12 42.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 124.617 1.103 . . . . 0.0 111.32 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -176.84 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.356 -0.922 . . . . 0.0 113.139 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.2 -52.8 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.477 1.111 . . . . 0.0 113.848 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -59.37 -33.86 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.117 1.367 . . . . 0.0 111.918 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -79.92 -50.05 11.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.213 1.005 . . . . 0.0 112.062 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -49.38 -50.01 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.6 1.56 . . . . 0.0 111.35 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.1 88.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.69 -32.63 74.18 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.776 -1.202 . . . . 0.0 113.665 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.626 HG13 ' HB3' ' A' ' 44' ' ' TYR . 95.0 t -63.13 -66.23 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 123.561 0.745 . . . . 0.0 110.552 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.44 -32.05 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.023 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -57.68 -56.57 20.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 126.084 1.754 . . . . 0.0 109.962 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -53.42 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.55 0.34 . . . . 0.0 111.541 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD11 ' SD ' ' A' ' 79' ' ' MET . 1.4 mt -51.83 -44.74 63.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.572 0.749 . . . . 0.0 112.339 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.84 -49.81 73.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.401 1.0 . . . . 0.0 113.562 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.3 mp -68.48 -22.38 64.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -42.42 62.99 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.176 0.991 . . . . 0.0 112.415 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -94.61 -26.43 16.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.006 0.922 . . . . 0.0 112.562 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.54 12.37 81.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.895 1.236 . . . . 0.0 114.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.05 166.01 29.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.382 1.873 . . . . 0.0 111.755 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -63.0 -33.27 75.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.758 1.223 . . . . 0.0 113.871 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.76 91.19 5.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.073 1.349 . . . . 0.0 111.311 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.01 152.77 23.2 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.453 1.101 . . . . 0.0 112.706 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.7 m -64.53 154.81 34.93 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.257 0.623 . . . . 0.0 111.016 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -51.12 -45.6 61.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.149 0.98 . . . . 0.0 112.487 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.15 54.5 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.298 0.951 . . . . 0.0 112.995 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.76 -40.32 96.9 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.982 1.391 . . . . 0.0 111.711 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -31.05 61.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.024 0.93 . . . . 0.0 112.917 177.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -56.66 19.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.306 1.042 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' HD11 ' A' ' 63' ' ' LEU . 5.5 ttm -75.92 -38.82 57.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.438 0.695 . . . . 0.0 112.024 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.62 -48.73 71.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.602 -0.713 . . . . 0.0 111.274 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.66 -40.88 41.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.808 1.243 . . . . 0.0 112.783 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -73.43 -51.47 17.13 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.673 0.789 . . . . 0.0 111.084 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -31.0 68.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.088 0.955 . . . . 0.0 113.271 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -54.91 26.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.377 2.271 . . . . 0.0 110.616 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -20.08 61.24 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.211 1.004 . . . . 0.0 112.753 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.37 -39.69 11.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.572 1.549 . . . . 0.0 112.861 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 106' ' ' LEU . 13.5 tp -47.43 -57.04 5.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.335 1.454 . . . . 0.0 110.933 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.432 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -72.76 -13.99 16.73 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -69.1 -44.31 72.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.611 1.964 . . . . 0.0 112.374 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.18 -48.58 12.93 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.607 0.717 . . . . 0.0 110.252 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.837 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -64.28 -17.09 63.31 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.86 1.664 . . . . 0.0 113.257 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -47.07 -34.64 6.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.148 2.179 . . . . 0.0 113.508 179.082 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -62.61 1.7 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.63 -25.86 65.95 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -57.31 -54.87 41.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.432 1.093 . . . . 0.0 111.145 175.196 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.2 t70 47.89 32.58 2.83 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 125.475 1.51 . . . . 0.0 114.494 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -169.1 2.97 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.167 2.187 . . . . 0.0 112.233 -171.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.8 m -62.95 147.93 49.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.218 1.407 . . . . 0.0 111.218 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -49.72 -29.14 7.05 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.428 1.013 . . . . 0.0 113.723 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -25.26 6.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.893 1.677 . . . . 0.0 112.034 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -57.76 -59.48 5.16 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 110.198 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.78 -38.87 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.662 0.785 . . . . 0.0 111.358 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.432 ' HG3' HG21 ' A' ' 88' ' ' ILE . 23.0 mt-10 -59.73 -49.4 77.87 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.119 0.968 . . . . 0.0 111.859 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -74.22 -27.06 60.61 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.817 -1.087 . . . . 0.0 111.977 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -27.17 52.91 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.968 1.713 . . . . 0.0 111.529 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -54.3 -33.66 59.26 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.99 0.916 . . . . 0.0 112.072 175.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -31.03 71.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.005 0.922 . . . . 0.0 113.473 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 tmmt? -90.67 -24.82 20.35 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.691 2.397 . . . . 0.0 112.092 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 25' ' ' LEU . 61.4 mt -77.56 -66.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.958 1.303 . . . . 0.0 109.932 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.6 m-85 -85.39 6.28 27.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.142 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 127.575 2.35 . . . . 0.0 113.505 -178.198 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 -38.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.363 1.065 . . . . 0.0 112.658 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -59.95 109.89 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.298 1.439 . . . . 0.0 112.305 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.97 177.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.219 1.807 . . . . 0.0 112.055 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.4 p -116.76 179.86 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.623 1.969 . . . . 0.0 110.749 174.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -49.41 -29.97 7.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.41 1.084 . . . . 0.0 113.552 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -52.7 -57.21 10.83 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.979 1.711 . . . . 0.0 112.621 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -43.42 98.91 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.217 1.007 . . . . 0.0 110.542 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 91' ' ' LEU . 94.8 t -56.89 -49.9 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -53.87 -43.1 69.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.585 1.154 . . . . 0.0 111.979 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -65.14 -53.09 50.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.407 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.2 t -48.15 -49.52 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.917 1.687 . . . . 0.0 111.929 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.91 -35.46 61.67 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -74.76 -24.28 58.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 114.148 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 21' ' ' VAL . 71.1 mt -69.41 -49.71 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.517 1.527 . . . . 0.0 110.675 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.56 -11.68 53.48 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -56.74 -25.35 54.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.223 1.409 . . . . 0.0 114.11 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.77 137.8 35.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.697 1.199 . . . . 0.0 112.524 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' HD22 ' A' ' 65' ' ' LEU . 12.6 mmmm -102.2 7.28 40.89 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.799 1.64 . . . . 0.0 113.713 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -97.64 11.08 38.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.398 1.879 . . . . 0.0 113.286 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 65' ' ' LEU . 2.7 pp -92.63 -8.55 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.541 1.937 . . . . 0.0 113.173 -177.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 p -45.42 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.325 2.25 . . . . 0.0 113.12 -174.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.84 133.82 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.933 0.893 . . . . 0.0 109.9 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.09 143.95 54.45 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.679 1.191 . . . . 0.0 112.59 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -36.31 81.34 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -59.9 -43.03 95.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.329 1.052 . . . . 0.0 111.494 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -84.53 -23.0 29.95 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.477 1.111 . . . . 0.0 112.647 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.07 -45.51 64.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.702 1.201 . . . . 0.0 112.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -50.27 -35.56 27.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.312 1.045 . . . . 0.0 113.213 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -86.25 -40.4 15.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.57 1.548 . . . . 0.0 111.714 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.69 61.31 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 112.607 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.6 -41.7 70.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.02 0.928 . . . . 0.0 110.998 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -66.87 -57.24 7.37 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.606 1.562 . . . . 0.0 112.166 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.81 -51.34 61.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.378 0.671 . . . . 0.0 111.092 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.648 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.3 m-30 -60.8 -37.64 82.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.901 0.88 . . . . 0.0 113.17 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -33.69 66.48 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.587 1.085 . . . . 0.0 112.541 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.81 -39.42 43.86 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.466 -0.772 . . . . 0.0 111.049 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -17.15 5.02 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 59' ' ' VAL . 6.5 mm -72.19 -23.92 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.643 1.177 . . . . 0.0 112.423 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 -27.83 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.407 1.483 . . . . 0.0 113.751 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.7 p -108.42 -27.97 9.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.944 1.297 . . . . 0.0 111.79 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.67 145.29 40.0 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 124.559 1.076 . . . . 0.0 111.12 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -83.45 175.79 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.39 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 90' ' ' GLU . 2.6 p -49.63 -46.56 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.657 1.583 . . . . 0.0 113.541 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.55 -24.76 67.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.892 0.877 . . . . 0.0 113.243 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.7 mt-10 -87.97 -50.4 6.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.582 1.553 . . . . 0.0 112.2 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.83 -50.19 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.846 1.657 . . . . 0.0 112.586 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.39 77.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.68 -42.11 82.95 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.236 -0.915 . . . . 0.0 111.653 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 48' ' ' ILE . 98.1 t -57.02 -63.33 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.2 -32.99 68.8 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -62.66 -54.12 44.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.631 1.572 . . . . 0.0 110.61 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.84 -52.46 41.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.037 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.99 -44.26 70.71 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.02 -50.68 72.39 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.174 -0.954 . . . . 0.0 112.937 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 30' ' ' ILE . 12.9 mt -71.73 -25.85 62.23 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.26 -25.77 64.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.587 1.555 . . . . 0.0 112.577 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -108.73 -30.19 8.3 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.582 1.553 . . . . 0.0 113.43 175.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.21 77.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.137 0.875 . . . . 0.0 114.235 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -148.3 179.25 7.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.777 1.631 . . . . 0.0 112.218 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -41.71 51.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.767 1.227 . . . . 0.0 113.861 175.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -95.02 73.8 3.46 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.022 1.329 . . . . 0.0 111.245 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 HD22 ' A' ' 80' ' ' LEU . 20.7 mt -56.8 166.86 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.638 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.421 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -61.84 149.13 41.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 175.558 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.91 -38.89 62.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.546 0.738 . . . . 0.0 112.278 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.67 97.1 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.077 0.846 . . . . 0.0 113.811 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -72.98 -45.16 59.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.374 1.087 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -49.04 -34.29 13.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.604 1.561 . . . . 0.0 112.577 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -50.03 -59.9 3.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.636 1.574 . . . . 0.0 113.102 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.21 -38.89 55.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.592 0.757 . . . . 0.0 112.192 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 72' ' ' LEU . 5.8 tp -54.5 -46.31 73.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 123.322 0.649 . . . . 0.0 110.964 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -51.84 -39.86 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.853 1.261 . . . . 0.0 112.399 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -74.17 -48.35 29.78 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.495 1.118 . . . . 0.0 111.508 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.19 83.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.216 1.006 . . . . 0.0 113.38 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -49.99 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.876 2.07 . . . . 0.0 110.25 174.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -21.2 63.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.466 HD23 ' CE ' ' A' ' 89' ' ' LYS . 21.1 mt -92.19 -35.63 13.73 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.083 1.353 . . . . 0.0 113.671 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 60' ' ' LEU . 14.6 tp -50.74 -58.71 5.25 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.409 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -18.16 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.679 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.466 ' CE ' HD23 ' A' ' 86' ' ' LEU . 21.1 ttpt -72.27 -49.81 31.95 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.964 2.106 . . . . 0.0 112.766 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 53' ' ' VAL . 6.3 pt-20 -74.41 -48.48 27.49 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.553 1.141 . . . . 0.0 111.998 175.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 18' ' ' VAL . 96.7 mt -66.82 -15.07 63.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.271 1.029 . . . . 0.0 112.508 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -33.8 1.83 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.874 2.07 . . . . 0.0 114.426 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -62.35 1.82 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.571 1.548 . . . . 0.0 111.979 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.21 -24.91 65.89 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -59.02 -54.75 43.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.674 1.189 . . . . 0.0 110.796 175.029 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 48.94 35.78 7.28 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.961 1.305 . . . . 0.0 113.585 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -160.87 -169.76 2.5 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.417 1.887 . . . . 0.0 112.786 -172.336 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 m -60.19 147.66 39.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.066 1.347 . . . . 0.0 111.406 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -51.0 -30.23 14.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.228 1.011 . . . . 0.0 113.606 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -25.42 5.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.997 1.719 . . . . 0.0 112.539 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.69 -59.56 4.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.017 1.28 . . . . 0.0 110.162 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.401 HD12 ' HD3' ' A' ' 95' ' ' LYS . 18.0 mt -80.12 -36.89 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.561 0.745 . . . . 0.0 111.362 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.92 -49.77 76.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.775 0.83 . . . . 0.0 111.848 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -74.78 -23.34 58.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.561 -0.733 . . . . 0.0 112.349 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' OD1' ' HE3' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -57.78 -23.61 53.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.909 1.686 . . . . 0.0 112.404 175.093 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.695 HD22 ' CE2' ' A' ' 110' ' ' PHE . 75.9 mt -54.61 -42.49 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.802 -1.187 . . . . 0.0 112.794 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -20.08 65.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HE3' ' OD1' ' A' ' 105' ' ' ASP . 2.8 tmmt? -92.44 -16.39 25.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.97 2.108 . . . . 0.0 112.931 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 25' ' ' LEU . 25.3 mt -98.41 -68.04 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 125.235 1.414 . . . . 0.0 109.926 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.695 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -74.59 -10.4 59.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.803 1.241 . . . . 0.0 112.894 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 126.304 1.842 . . . . 0.0 112.623 179.158 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -147.8 -35.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.284 1.034 . . . . 0.0 112.285 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -61.25 108.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 111.838 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.54 176.71 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.275 1.83 . . . . 0.0 112.178 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -117.5 179.48 4.04 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.261 2.224 . . . . 0.0 110.519 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -28.48 4.88 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.733 1.213 . . . . 0.0 113.764 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -52.29 -57.57 9.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.785 1.234 . . . . 0.0 113.026 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -42.31 98.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.012 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.787 HG11 ' HB3' ' A' ' 94' ' ' ALA . 48.3 t -55.35 -34.84 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.991 0.814 . . . . 0.0 111.179 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.72 -41.97 64.65 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.016 -1.677 . . . . 0.0 112.485 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -68.05 -52.61 33.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.77 0.828 . . . . 0.0 113.089 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 7.1 p -53.71 -39.47 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.557 1.143 . . . . 0.0 111.868 178.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -61.29 -34.92 76.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.785 0.72 . . . . 0.0 111.965 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 t -73.3 -33.29 65.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.707 1.203 . . . . 0.0 112.567 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.82 -51.53 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.348 1.059 . . . . 0.0 111.332 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -82.39 -11.27 58.66 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.12 -21.57 47.1 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.479 1.511 . . . . 0.0 114.375 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -86.5 121.76 29.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.723 1.209 . . . . 0.0 111.764 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -0.19 55.83 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.504 1.522 . . . . 0.0 113.518 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.14 6.32 19.63 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.027 1.731 . . . . 0.0 113.935 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -88.93 -8.18 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 127.022 2.129 . . . . 0.0 113.342 -177.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.2 p -51.11 116.37 1.98 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.036 1.734 . . . . 0.0 113.257 -170.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.43 129.14 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.709 0.804 . . . . 0.0 109.793 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 135.4 53.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 111.828 175.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.4 m -51.68 -25.79 7.91 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.106 1.362 . . . . 0.0 114.521 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 m -68.02 -61.61 1.78 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.148 1.379 . . . . 0.0 111.367 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -70.74 -21.59 62.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 0.0 112.368 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -50.95 -42.46 59.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.705 1.202 . . . . 0.0 113.512 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -53.38 -32.72 50.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.005 0.922 . . . . 0.0 112.64 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -86.65 -42.68 13.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.21 1.804 . . . . 0.0 111.67 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.68 59.7 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.49 1.116 . . . . 0.0 112.376 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.83 -42.49 65.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.102 0.961 . . . . 0.0 111.194 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -65.32 -55.91 15.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.477 1.511 . . . . 0.0 112.652 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.35 -49.83 71.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.201 0.601 . . . . 0.0 110.97 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.518 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.2 m-30 -62.12 -34.15 75.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -29.36 66.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.723 1.147 . . . . 0.0 112.072 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.24 -39.38 40.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.514 1.126 . . . . 0.0 111.012 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -16.73 4.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 59' ' ' VAL . 3.9 mm -77.08 -20.24 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.321 1.048 . . . . 0.0 112.7 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -116.73 -29.87 5.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.771 1.628 . . . . 0.0 114.112 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -116.27 -22.86 8.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.752 1.221 . . . . 0.0 113.026 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 133.59 23.01 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 124.34 0.972 . . . . 0.0 111.26 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -70.29 176.25 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.622 -0.789 . . . . 0.0 111.623 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.31 -51.93 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 127.307 2.243 . . . . 0.0 112.007 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.17 -30.88 66.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.009 0.924 . . . . 0.0 111.8 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -80.16 -48.35 13.3 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.32 1.048 . . . . 0.0 113.014 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -50.66 -50.6 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 121.356 1.889 . . . . 0.0 111.769 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.9 85.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.01 -38.0 78.23 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.373 -0.823 . . . . 0.0 111.584 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' HB3' ' A' ' 44' ' ' TYR . 78.8 t -59.14 -68.11 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.476 1.489 . . . . 0.0 110.655 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.43 -32.14 62.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -175.118 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.4 -51.95 66.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.847 1.659 . . . . 0.0 110.464 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.77 -53.83 53.32 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.674 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.01 -42.33 62.92 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.183 0.901 . . . . 0.0 112.559 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.532 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.5 m-85 -62.38 -48.74 78.42 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.039 -1.038 . . . . 0.0 112.669 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 30' ' ' ILE . 34.4 mt -69.78 -21.71 63.39 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.63 -47.64 79.26 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.528 1.058 . . . . 0.0 112.172 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.74 24.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.364 1.065 . . . . 0.0 112.915 175.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.62 15.16 68.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.895 1.236 . . . . 0.0 113.804 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.53 175.89 13.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.956 1.702 . . . . 0.0 111.596 -172.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.59 -26.95 61.89 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 114.41 175.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 67.73 4.34 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.482 1.913 . . . . 0.0 110.963 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.59 142.7 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.736 1.215 . . . . 0.0 111.228 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -60.45 155.93 17.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.347 0.659 . . . . 0.0 111.465 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.36 -47.18 56.22 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.395 0.998 . . . . 0.0 112.423 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.78 17.15 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.73 -0.483 . . . . 0.0 112.09 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -57.31 -36.47 71.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.464 1.132 . . . . 0.0 113.039 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -60.21 -28.26 67.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.191 1.396 . . . . 0.0 112.943 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.05 -55.27 26.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.192 1.397 . . . . 0.0 111.693 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -70.54 -38.13 74.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 119.278 -0.392 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 64' ' ' TYR . 3.4 tp -54.45 -54.11 45.18 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.598 0.759 . . . . 0.0 111.282 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.72 -36.41 57.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.93 1.292 . . . . 0.0 112.798 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -73.29 -50.59 21.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.052 0.541 . . . . 0.0 111.129 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.63 70.82 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.549 1.139 . . . . 0.0 113.527 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -51.02 71.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.934 2.093 . . . . 0.0 110.901 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -59.7 -23.31 63.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.533 1.133 . . . . 0.0 112.697 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.8 mt -92.35 -36.27 13.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.16 1.384 . . . . 0.0 113.009 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 106' ' ' LEU . 14.0 tp -51.39 -56.3 13.92 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.597 1.559 . . . . 0.0 110.485 175.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.401 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -71.3 -19.17 20.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 120.184 -0.607 . . . . 0.0 112.578 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -61.82 -55.91 24.92 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.572 1.549 . . . . 0.0 112.283 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -66.22 -48.34 70.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.117 1.367 . . . . 0.0 111.831 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 21' ' ' VAL . 88.7 mt -68.3 -15.52 63.6 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.616 1.166 . . . . 0.0 113.932 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 32.6 t -51.39 -28.71 13.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.209 1.804 . . . . 0.0 113.199 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -69.92 0.13 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.221 1.408 . . . . 0.0 113.337 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.787 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.01 -20.18 63.28 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -54.06 -54.75 34.99 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.405 1.482 . . . . 0.0 111.437 175.033 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.2 t70 50.5 30.23 4.55 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.668 1.587 . . . . 0.0 114.619 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -156.16 -168.38 2.73 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.859 2.063 . . . . 0.0 112.742 -171.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -65.03 148.76 51.06 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.081 1.352 . . . . 0.0 111.152 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.88 -27.56 7.73 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -52.98 -23.74 7.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.503 1.521 . . . . 0.0 112.651 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.3 -59.42 5.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.725 1.148 . . . . 0.0 108.955 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.22 -41.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.746 1.218 . . . . 0.0 111.759 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 88' ' ' ILE . 12.8 mt-10 -58.36 -46.25 86.64 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.665 0.786 . . . . 0.0 111.228 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 t -74.84 -29.97 61.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.189 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -24.65 11.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.664 1.575 . . . . 0.0 112.806 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 87' ' ' LEU . 69.5 mt -55.97 -40.15 72.83 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.112 -0.992 . . . . 0.0 112.047 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -22.94 66.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.3 -18.15 23.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.176 2.59 . . . . 0.0 113.056 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 25' ' ' LEU . 28.3 mt -96.41 -67.67 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 125.295 1.438 . . . . 0.0 109.688 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.8 m-85 -77.2 -12.12 59.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.638 1.175 . . . . 0.0 113.423 -174.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 CA--C 1.549 0.926 0 C-N-CA 127.033 2.133 . . . . 0.0 112.911 -178.776 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 119.848 -0.12 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -160.87 -48.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.922 1.689 . . . . 0.0 111.212 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -62.1 110.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.349 1.46 . . . . 0.0 112.736 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -146.23 175.81 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.455 1.902 . . . . 0.0 111.775 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -113.45 -179.26 3.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.344 1.858 . . . . 0.0 110.375 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.54 -29.42 6.87 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.333 1.453 . . . . 0.0 113.474 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -51.53 -61.4 2.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.806 1.642 . . . . 0.0 113.849 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.2 -41.01 83.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.417 174.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG13 HD22 ' A' ' 91' ' ' LEU . 45.6 t -54.18 -30.28 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 118.88 0.763 . . . . 0.0 111.36 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -50.4 15.28 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.123 -1.611 . . . . 0.0 111.719 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.85 -51.85 67.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.757 HG11 HD21 ' A' ' 91' ' ' LEU . 8.5 p -54.06 -40.8 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.031 0.832 . . . . 0.0 111.641 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -62.73 -28.99 70.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.783 0.72 . . . . 0.0 112.901 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 t -78.12 -30.97 49.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 0.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' VAL . 91.9 mt -64.0 -54.77 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.369 1.067 . . . . 0.0 111.005 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -56.32 -27.98 57.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.633 1.173 . . . . 0.0 114.093 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.81 140.59 42.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.577 1.151 . . . . 0.0 112.582 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 5.8 21.08 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.784 1.234 . . . . 0.0 113.853 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -97.18 3.84 51.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.74 2.016 . . . . 0.0 113.479 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -74.71 -7.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.681 1.592 . . . . 0.0 113.402 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -51.38 104.23 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.152 1.781 . . . . 0.0 112.706 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 40' ' ' ARG . 50.4 t -75.57 138.71 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 110.615 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.8 148.4 29.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.891 1.277 . . . . 0.0 113.244 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -35.88 78.92 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.819 1.648 . . . . 0.0 114.088 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.7 m -61.1 -43.4 98.93 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.612 1.165 . . . . 0.0 111.432 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.0 m -83.06 -24.44 32.75 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.126 0.97 . . . . 0.0 112.33 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.25 -43.67 64.47 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.698 1.199 . . . . 0.0 112.95 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.55 -43.05 56.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -80.59 -38.51 29.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.618 1.167 . . . . 0.0 111.524 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.721 ' HG3' HG11 ' A' ' 32' ' ' VAL . 6.0 mmt180 -55.19 -34.92 64.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.784 1.234 . . . . 0.0 112.515 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.1 -42.62 66.13 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.601 0.76 . . . . 0.0 110.815 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -65.3 -59.67 3.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.745 1.618 . . . . 0.0 112.377 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.55 -50.74 62.31 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.137 0.426 . . . . 0.0 111.713 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.68 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -60.13 -37.73 80.95 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.8 0.84 . . . . 0.0 112.446 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -31.81 69.69 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.77 1.168 . . . . 0.0 112.438 175.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -78.73 -37.6 40.95 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.083 -1.011 . . . . 0.0 111.44 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -55.29 -18.09 5.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 59' ' ' VAL . 4.5 mm -73.84 -19.09 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.459 1.103 . . . . 0.0 112.456 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -121.67 -34.99 3.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.894 2.077 . . . . 0.0 111.858 -174.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -112.77 -28.25 7.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.266 1.426 . . . . 0.0 112.339 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.43 148.07 46.57 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 124.938 1.256 . . . . 0.0 111.721 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -84.53 175.0 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.149 1.38 . . . . 0.0 112.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.2 p -48.81 -51.41 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.396 1.479 . . . . 0.0 113.353 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -61.11 -25.67 67.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.883 0.873 . . . . 0.0 112.507 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.3 mt-10 -83.6 -48.91 9.72 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.417 1.087 . . . . 0.0 112.893 174.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mm -48.18 -49.67 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.522 1.51 . . . . 0.0 111.695 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.22 90.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.101 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.39 -33.34 75.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.452 -1.405 . . . . 0.0 112.591 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 48' ' ' ILE . 79.1 t -61.06 -66.42 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 123.898 0.879 . . . . 0.0 109.999 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.48 -35.18 65.25 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -176.058 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -58.24 -47.86 82.22 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.689 1.996 . . . . 0.0 111.048 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -56.25 17.68 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.246 0.618 . . . . 0.0 110.272 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 76' ' ' GLU . 2.8 mp -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.532 0.733 . . . . 0.0 112.804 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.442 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -55.86 -50.54 70.33 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 175.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 30' ' ' ILE . 54.7 mt -72.6 -30.53 64.44 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.52 -33.87 71.92 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.557 1.143 . . . . 0.0 111.882 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -32.01 15.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.895 1.278 . . . . 0.0 113.436 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 16.98 78.02 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.317 0.961 . . . . 0.0 114.214 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -151.15 176.03 11.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.347 1.859 . . . . 0.0 111.892 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -77.17 -39.87 47.43 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.77 1.628 . . . . 0.0 113.919 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.67 71.39 7.56 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.156 1.782 . . . . 0.0 111.269 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -54.34 154.92 4.15 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -59.44 155.67 14.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.111 0.965 . . . . 0.0 111.27 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.54 -42.37 64.33 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.23 -52.75 21.15 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.143 0.878 . . . . 0.0 113.437 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' HD23 ' A' ' 63' ' ' LEU . 52.0 mt-10 -62.57 -40.04 95.59 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.933 -1.333 . . . . 0.0 112.063 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -54.31 -28.67 43.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.059 0.944 . . . . 0.0 113.274 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -57.66 11.73 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.812 1.245 . . . . 0.0 112.126 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttm -76.29 -39.36 54.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.57 0.748 . . . . 0.0 111.888 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 72' ' ' LEU . 5.0 tp -54.83 -45.87 74.52 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.473 175.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -52.03 -39.22 59.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.135 . . . . 0.0 112.765 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -74.53 -48.64 25.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.317 0.647 . . . . 0.0 111.21 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.34 -31.43 69.18 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.182 -0.949 . . . . 0.0 112.734 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -63.26 -53.71 48.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.902 2.081 . . . . 0.0 111.374 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 p -61.24 -21.97 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.55 -34.46 14.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.794 2.038 . . . . 0.0 113.406 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -53.0 -58.65 6.25 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.176 1.39 . . . . 0.0 110.009 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -18.72 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.415 -0.803 . . . . 0.0 112.758 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -53.43 46.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.649 1.579 . . . . 0.0 112.551 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' CG ' HG23 ' A' ' 53' ' ' VAL . 1.8 pt-20 -70.31 -46.25 64.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.737 1.215 . . . . 0.0 111.564 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 21' ' ' VAL . 91.9 mt -67.8 -18.42 64.85 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.429 1.091 . . . . 0.0 113.593 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.9 t -44.13 -36.04 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 128.103 2.561 . . . . 0.0 113.338 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -64.92 0.68 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.143 1.377 . . . . 0.0 112.029 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.83 -23.1 60.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.44 -45.08 46.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.59 1.156 . . . . 0.0 111.5 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 46.23 30.95 1.09 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.636 1.974 . . . . 0.0 113.984 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.41 -167.04 1.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.156 2.182 . . . . 0.0 111.468 -167.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 157.66 25.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.378 1.071 . . . . 0.0 111.152 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -54.67 -27.82 42.9 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.419 -0.801 . . . . 0.0 112.792 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -26.96 12.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.826 1.651 . . . . 0.0 111.982 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -59.78 4.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.464 1.483 . . . . 0.0 109.434 175.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.28 -40.58 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 O-C-N 121.697 -0.627 . . . . 0.0 112.046 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.72 -47.8 81.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.547 0.739 . . . . 0.0 111.718 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -74.77 -31.67 61.83 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.113 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -54.71 -23.56 18.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.597 1.544 . . . . 0.0 112.837 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 87' ' ' LEU . 82.2 mt -55.98 -35.68 67.02 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.854 0.862 . . . . 0.0 112.077 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -63.28 -23.86 67.61 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.863 0.865 . . . . 0.0 112.726 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -93.86 -17.41 23.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.039 2.136 . . . . 0.0 113.276 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.501 HG21 HD13 ' A' ' 25' ' ' LEU . 68.2 mt -91.91 -67.99 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.807 1.643 . . . . 0.0 109.941 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.4 m-85 -81.37 -10.82 59.46 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.565 1.146 . . . . 0.0 112.521 -175.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.7 t30 . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 128.05 2.54 . . . . 0.0 113.601 178.435 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 119.646 -0.216 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.15 -30.6 0.38 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.816 1.246 . . . . 0.0 112.67 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.35 110.42 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.168 1.387 . . . . 0.0 112.05 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.19 174.25 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.655 1.982 . . . . 0.0 112.215 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.7 p -113.82 177.83 4.5 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.607 1.963 . . . . 0.0 110.719 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.22 -28.58 4.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.031 1.332 . . . . 0.0 113.863 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -55.49 -56.18 23.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.541 1.064 . . . . 0.0 112.895 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.06 -42.75 86.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.7 175.076 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 91' ' ' LEU . 38.4 t -55.37 -31.67 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 0.585 . . . . 0.0 110.754 -177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.01 -48.85 22.04 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.46 -1.4 . . . . 0.0 111.515 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.23 -52.85 63.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.433 1.093 . . . . 0.0 111.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 91' ' ' LEU . 11.4 p -54.43 -45.2 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 0.0 111.222 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.02 -41.55 88.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.745 0.702 . . . . 0.0 109.89 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.21 -32.5 71.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.635 1.174 . . . . 0.0 113.555 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.48 -51.3 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.048 0.939 . . . . 0.0 110.773 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.742 HD12 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -78.29 -16.91 57.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.163 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -54.6 -27.55 40.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.186 1.394 . . . . 0.0 114.113 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -76.53 139.21 40.66 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.805 1.242 . . . . 0.0 112.945 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 -14.33 18.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.817 1.247 . . . . 0.0 114.324 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -79.14 -2.34 40.3 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.13 1.372 . . . . 0.0 113.734 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.75 -15.47 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.462 1.505 . . . . 0.0 114.194 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 t -39.06 105.22 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.617 2.367 . . . . 0.0 113.605 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.04 137.24 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.458 1.503 . . . . 0.0 111.522 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.0 148.27 50.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.296 1.038 . . . . 0.0 112.608 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.36 -45.79 91.56 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.333 1.053 . . . . 0.0 113.559 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.9 m -58.34 -45.56 87.91 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.209 -0.932 . . . . 0.0 111.01 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -70.66 -32.16 69.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.16 1.384 . . . . 0.0 112.585 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -54.46 -48.65 71.51 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.98 1.312 . . . . 0.0 111.982 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -52.96 -30.23 33.57 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.029 0.932 . . . . 0.0 113.057 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.17 -50.91 7.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.483 1.913 . . . . 0.0 111.241 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.54 54.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.432 1.493 . . . . 0.0 112.908 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.75 -42.88 62.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.241 1.416 . . . . 0.0 111.552 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -64.85 -58.0 7.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.444 1.498 . . . . 0.0 112.295 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -56.98 -47.13 81.51 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.605 0.362 . . . . 0.0 111.185 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -57.16 -45.26 83.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 117.881 -1.056 . . . . 0.0 111.987 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.39 66.03 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.727 1.149 . . . . 0.0 112.386 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -37.0 30.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.363 1.465 . . . . 0.0 112.209 175.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.18 -18.32 25.02 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.686 -1.259 . . . . 0.0 112.981 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 HG11 ' A' ' 59' ' ' VAL . 6.8 mm -70.29 -24.54 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.56 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -120.37 -23.58 6.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.762 1.225 . . . . 0.0 113.776 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 p -113.71 -28.46 7.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.735 1.214 . . . . 0.0 113.024 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.47 145.09 30.03 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 124.842 1.21 . . . . 0.0 110.452 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -83.2 179.87 7.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.097 -1.051 . . . . 0.0 112.922 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.58 -52.08 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.321 1.848 . . . . 0.0 113.449 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -59.58 -32.31 70.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.147 1.379 . . . . 0.0 112.352 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.0 mt-10 -82.1 -49.18 10.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.518 1.527 . . . . 0.0 111.657 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -49.43 -49.94 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.667 1.587 . . . . 0.0 111.172 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.064 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.1 -35.95 69.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.913 -1.117 . . . . 0.0 111.239 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.594 HG11 HD11 ' A' ' 48' ' ' ILE . 88.7 t -61.22 -61.49 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.611 1.164 . . . . 0.0 111.073 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.13 -30.44 69.29 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -61.17 -56.15 24.02 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.646 1.578 . . . . 0.0 111.751 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.88 -45.8 82.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.11 0.413 . . . . 0.0 110.732 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.48 -45.91 76.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.262 1.025 . . . . 0.0 111.773 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.7 m-85 -62.95 -49.85 73.11 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.1 -26.18 66.57 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.821 -0.549 . . . . 0.0 112.295 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.12 -37.52 74.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.889 1.276 . . . . 0.0 110.534 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.59 -31.47 18.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.221 0.609 . . . . 0.0 112.421 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.08 17.07 69.47 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.408 1.004 . . . . 0.0 114.517 -173.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.1 164.8 36.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 112.451 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -64.4 -37.7 88.44 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.844 1.658 . . . . 0.0 114.053 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 84.19 7.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.721 1.608 . . . . 0.0 110.279 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -64.17 155.86 30.35 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 176.791 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.78 149.13 50.65 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.756 0.822 . . . . 0.0 110.22 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -52.41 -42.03 63.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.915 0.779 . . . . 0.0 112.875 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.72 48.82 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.058 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -64.69 -41.18 96.23 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.211 -1.17 . . . . 0.0 111.498 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -54.52 -30.99 55.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.067 1.747 . . . . 0.0 112.766 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -56.26 24.24 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.153 1.381 . . . . 0.0 112.018 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -74.74 -35.99 62.62 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.591 0.357 . . . . 0.0 111.636 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 72' ' ' LEU . 9.1 tp -54.53 -48.64 71.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.338 0.655 . . . . 0.0 111.574 175.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -51.71 -38.03 53.41 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.42 1.088 . . . . 0.0 112.914 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -43.89 37.78 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.103 0.961 . . . . 0.0 112.184 176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.14 71.75 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.858 -1.151 . . . . 0.0 112.984 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -60.94 -51.3 69.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.267 2.227 . . . . 0.0 111.01 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 p -63.98 -20.25 65.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.523 HD23 ' HD2' ' A' ' 89' ' ' LYS . 52.0 mt -91.78 -38.06 12.6 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.159 1.384 . . . . 0.0 112.745 175.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 106' ' ' LEU . 20.1 tp -47.03 -61.05 2.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.006 1.323 . . . . 0.0 110.799 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.415 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.75 -14.63 18.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 86' ' ' LEU . 11.4 ttmm -70.31 -42.27 72.2 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.364 1.866 . . . . 0.0 113.001 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.55 -48.77 11.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.718 0.771 . . . . 0.0 109.83 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 21' ' ' VAL . 58.0 mt -62.48 -14.18 38.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.2 1.8 . . . . 0.0 112.433 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 p -50.26 -28.76 8.24 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.561 1.944 . . . . 0.0 114.135 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -62.24 1.85 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.496 1.118 . . . . 0.0 111.655 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.607 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.64 -9.9 59.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 97' ' ' CYS . 7.7 ptmt -49.29 -39.81 32.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.481 1.112 . . . . 0.0 112.539 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 t70 45.38 24.55 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 129.208 3.003 . . . . 0.0 115.187 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 95' ' ' LYS . 1.3 t -166.0 -164.96 0.75 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.661 2.384 . . . . 0.0 111.551 -165.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.55 165.99 21.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.885 1.274 . . . . 0.0 112.037 175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.3 -30.54 62.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.593 -1.317 . . . . 0.0 111.976 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -24.64 7.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.855 1.662 . . . . 0.0 113.05 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -59.47 5.39 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.245 1.839 . . . . 0.0 109.611 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 mt -76.73 -41.29 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.549 0.74 . . . . 0.0 110.519 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' HG21 ' A' ' 88' ' ' ILE . 52.4 mt-10 -58.27 -50.95 71.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.275 1.03 . . . . 0.0 111.899 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -73.56 -32.5 64.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.096 -1.43 . . . . 0.0 112.888 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.63 -26.3 21.56 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.196 1.817 . . . . 0.0 112.085 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 87' ' ' LEU . 76.7 mt -52.7 -36.56 57.53 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.292 0.637 . . . . 0.0 112.316 175.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 112.552 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -35.7 67.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 112.136 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.742 HG21 HD12 ' A' ' 25' ' ' LEU . 16.2 mt -77.11 -62.7 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.263 1.025 . . . . 0.0 111.194 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -81.22 0.21 37.68 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.542 1.537 . . . . 0.0 113.459 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 128.074 2.55 . . . . 0.0 113.231 -177.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 119.872 -0.109 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.45 -50.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.71 1.604 . . . . 0.0 111.72 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tp -60.74 109.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.615 1.566 . . . . 0.0 112.617 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.94 176.54 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.674 1.99 . . . . 0.0 111.622 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.5 p -114.34 -177.61 3.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.279 2.232 . . . . 0.0 110.99 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -27.1 5.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.303 1.041 . . . . 0.0 113.799 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -50.98 -61.3 2.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.708 1.603 . . . . 0.0 112.979 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -41.05 96.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 117.55 -1.214 . . . . 0.0 109.965 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 91' ' ' LEU . 45.9 t -56.25 -35.62 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 119.527 1.058 . . . . 0.0 111.681 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -74.88 -35.0 62.31 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 119.894 -1.754 . . . . 0.0 113.088 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.34 -51.28 25.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.539 1.135 . . . . 0.0 112.712 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -56.48 -44.09 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.256 1.422 . . . . 0.0 112.212 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 109' ' ' ILE . 6.8 m-85 -56.45 -35.67 68.15 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.964 0.802 . . . . 0.0 111.682 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -67.14 -28.82 68.44 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.361 1.464 . . . . 0.0 113.56 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.12 -48.78 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.524 1.13 . . . . 0.0 110.747 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.76 -11.96 57.89 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.662 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -56.46 -26.75 54.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.966 1.307 . . . . 0.0 114.141 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.29 124.69 30.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 112.368 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -86.65 -8.08 57.77 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -80.56 6.94 11.11 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.119 1.368 . . . . 0.0 113.854 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.597 HD11 HD13 ' A' ' 65' ' ' LEU . 2.4 pp -83.78 -12.06 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 126.84 2.056 . . . . 0.0 113.536 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 p -43.34 114.28 0.61 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.7 2.4 . . . . 0.0 113.977 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -78.59 132.8 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.035 0.934 . . . . 0.0 110.534 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.84 145.97 38.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.477 . . . . 0.0 112.84 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -61.15 -42.41 98.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.18 -46.19 90.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.576 1.15 . . . . 0.0 111.504 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 40' ' ' ARG . 57.8 m -73.4 -25.09 60.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.028 1.731 . . . . 0.0 112.78 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.82 -45.12 95.19 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.532 1.533 . . . . 0.0 112.852 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -51.7 -31.03 24.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.656 0.782 . . . . 0.0 111.998 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -44.37 11.68 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.606 1.962 . . . . 0.0 112.379 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -56.44 -32.49 64.96 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.188 0.995 . . . . 0.0 112.042 176.112 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.04 -41.44 62.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.274 1.03 . . . . 0.0 111.052 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -63.83 -61.3 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.42 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.34 -47.51 72.47 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.264 0.483 . . . . 0.0 111.461 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.633 ' HB3' HG13 ' A' ' 59' ' ' VAL . 16.6 m-30 -61.76 -37.75 85.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.804 0.841 . . . . 0.0 113.132 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.6 mtt -58.06 -33.87 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.795 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.99 -38.9 61.52 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.384 -0.822 . . . . 0.0 111.207 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -18.34 9.4 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 59' ' ' VAL . 4.8 mm -73.28 -18.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.173 0.989 . . . . 0.0 112.588 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -122.27 -34.65 3.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.669 1.988 . . . . 0.0 112.138 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 p -113.02 -26.21 8.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.166 1.386 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.34 144.43 39.12 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 124.894 1.235 . . . . 0.0 111.84 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.81 175.87 9.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.251 1.02 . . . . 0.0 112.922 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -51.75 -48.64 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.172 1.389 . . . . 0.0 112.095 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.64 -26.57 68.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.705 0.802 . . . . 0.0 112.05 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.3 -45.49 13.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.589 1.156 . . . . 0.0 112.678 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mm -51.98 -49.46 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.611 1.551 . . . . 0.0 111.127 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.18 -36.63 78.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.45 -42.09 83.65 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.422 -0.799 . . . . 0.0 111.574 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 48' ' ' ILE . 69.6 t -57.01 -65.04 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.981 0.912 . . . . 0.0 110.953 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.9 -34.2 65.35 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.8 -57.12 14.27 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.745 1.618 . . . . 0.0 109.614 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.45 -53.8 20.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.192 -0.433 . . . . 0.0 111.181 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.47 -44.75 62.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.102 0.961 . . . . 0.0 112.738 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -60.81 -50.63 72.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.175 0.898 . . . . 0.0 113.407 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 30' ' ' ILE . 4.3 mp -69.67 -19.77 63.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.72 -47.55 73.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.283 0.947 . . . . 0.0 112.393 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -85.88 -27.08 25.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.402 1.081 . . . . 0.0 111.822 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.66 15.75 80.51 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.72 1.152 . . . . 0.0 113.895 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.67 165.32 29.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.921 1.688 . . . . 0.0 111.168 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -66.49 -31.21 71.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.155 0.982 . . . . 0.0 113.417 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -85.74 81.61 8.53 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.512 1.525 . . . . 0.0 110.92 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.59 153.08 43.98 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.93 0.892 . . . . 0.0 112.517 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -66.36 152.88 44.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.692 0.397 . . . . 0.0 110.259 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.31 -39.3 60.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.61 0.764 . . . . 0.0 112.308 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 -52.61 52.03 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.243 -0.754 . . . . 0.0 113.075 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.73 -39.24 90.95 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.549 1.674 . . . . 0.0 112.205 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.33 -32.89 62.88 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.525 1.13 . . . . 0.0 112.866 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -52.98 -59.8 4.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.284 1.434 . . . . 0.0 112.651 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.39 -38.27 55.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.108 0.563 . . . . 0.0 111.982 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 64' ' ' TYR . 2.7 tp -54.93 -50.5 68.7 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 123.555 0.742 . . . . 0.0 111.354 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -50.45 -37.56 38.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.614 1.166 . . . . 0.0 112.639 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -71.14 -54.36 11.31 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.28 1.032 . . . . 0.0 110.881 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -34.0 71.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.405 1.082 . . . . 0.0 113.263 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -50.25 74.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.776 2.03 . . . . 0.0 110.958 175.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -22.07 64.85 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.708 0.803 . . . . 0.0 112.943 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -92.24 -35.71 13.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.324 1.85 . . . . 0.0 112.901 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 106' ' ' LEU . 15.5 tp -52.11 -57.27 10.09 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.717 1.607 . . . . 0.0 110.813 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -19.55 22.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -66.55 -49.06 67.7 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.157 1.783 . . . . 0.0 112.556 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.41 -46.78 37.99 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.988 1.315 . . . . 0.0 111.304 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 18' ' ' VAL . 80.4 mt -67.84 -16.12 63.95 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.759 1.223 . . . . 0.0 113.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.475 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 17.6 t -48.79 -32.14 8.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.376 2.271 . . . . 0.0 113.061 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -65.78 0.56 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.912 1.285 . . . . 0.0 112.516 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.729 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.34 -22.63 62.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -54.37 -54.78 35.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.466 1.506 . . . . 0.0 111.47 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 48.24 31.75 2.78 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.973 1.709 . . . . 0.0 114.732 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 -168.93 2.95 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.211 2.205 . . . . 0.0 111.844 -171.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 p -62.08 147.92 45.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.072 1.749 . . . . 0.0 111.38 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.34 -28.15 7.45 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 119.709 1.14 . . . . 0.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.35 -23.87 6.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.142 1.777 . . . . 0.0 112.437 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -59.73 4.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 120.239 1.381 . . . . 0.0 109.103 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.84 -39.54 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.317 1.047 . . . . 0.0 111.23 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.47 -46.72 89.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.876 0.87 . . . . 0.0 111.71 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -74.78 -29.46 61.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.3 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -26.94 13.64 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.22 1.373 . . . . 0.0 112.77 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 87' ' ' LEU . 72.7 mt -54.02 -38.56 65.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.418 1.087 . . . . 0.0 112.526 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -64.46 -24.43 67.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.482 1.113 . . . . 0.0 113.584 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -93.75 -15.59 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.552 2.341 . . . . 0.0 112.968 175.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 25' ' ' LEU . 13.7 mt -95.43 -67.51 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 124.66 1.184 . . . . 0.0 111.069 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.673 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -76.86 -12.45 59.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.444 1.098 . . . . 0.0 112.87 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 CA--C 1.547 0.832 0 C-N-CA 127.788 2.435 . . . . 0.0 113.385 179.071 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -151.79 -32.82 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.364 1.066 . . . . 0.0 112.638 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tp -59.1 109.89 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.505 1.522 . . . . 0.0 112.838 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.88 177.63 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.681 1.992 . . . . 0.0 112.364 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.6 p -117.47 -179.87 3.85 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.337 1.855 . . . . 0.0 110.739 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -26.4 7.09 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.493 1.117 . . . . 0.0 113.764 175.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.71 -55.91 26.62 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.989 -1.069 . . . . 0.0 112.818 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -43.0 93.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 117.705 -1.14 . . . . 0.0 109.719 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.2 t -54.66 -44.36 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.183 0.901 . . . . 0.0 110.692 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -69.08 -32.43 71.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.745 -1.222 . . . . 0.0 113.68 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -73.46 -55.28 6.56 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.222 1.009 . . . . 0.0 112.577 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 91' ' ' LEU . 9.9 p -54.43 -38.72 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.893 1.277 . . . . 0.0 111.639 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -79.99 -25.27 40.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.132 1.373 . . . . 0.0 112.813 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.39 -54.3 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.451 1.1 . . . . 0.0 110.698 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -80.67 -11.2 59.67 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.299 1.04 . . . . 0.0 113.686 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.36 126.18 30.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.996 1.319 . . . . 0.0 111.394 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.44 -2.59 56.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.56 12.34 1.66 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.996 1.719 . . . . 0.0 114.447 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.405 HD11 HD13 ' A' ' 65' ' ' LEU . 2.7 pp -99.14 0.7 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.844 2.458 . . . . 0.0 113.716 -175.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -45.4 104.27 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.656 1.983 . . . . 0.0 112.621 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.46 136.67 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.35 138.75 58.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.387 0.675 . . . . 0.0 111.19 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -60.58 -33.28 72.49 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -70.16 -44.28 69.14 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.436 -0.79 . . . . 0.0 110.699 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -73.94 -23.71 59.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.442 1.097 . . . . 0.0 113.077 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -52.61 -45.44 66.57 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.512 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.02 -31.56 51.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.56 -43.77 13.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.678 1.591 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -36.63 59.82 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.104 0.962 . . . . 0.0 112.515 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -51.58 -41.87 61.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.985 0.914 . . . . 0.0 111.253 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -62.51 -64.45 0.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.715 1.206 . . . . 0.0 112.33 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.13 -45.31 71.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.157 0.583 . . . . 0.0 111.464 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.4 m-30 -59.56 -42.0 91.44 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.138 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.72 65.22 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.496 1.044 . . . . 0.0 112.165 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -81.39 -36.75 29.18 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.918 0.887 . . . . 0.0 112.114 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -22.85 14.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 174.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 59' ' ' VAL . 3.8 mm -70.55 -16.74 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.136 1.374 . . . . 0.0 112.76 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -29.15 4.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.825 1.25 . . . . 0.0 112.662 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -116.99 -26.5 6.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.675 1.19 . . . . 0.0 112.782 -173.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.94 143.05 37.39 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 125.549 1.547 . . . . 0.0 111.404 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.96 171.87 12.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 124.113 0.965 . . . . 0.0 112.603 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.416 HG11 HG21 ' A' ' 13' ' ' ILE . 2.2 p -48.97 -47.54 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -62.64 -35.82 80.84 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.52 1.128 . . . . 0.0 110.429 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 59' ' ' VAL . 38.6 mt-10 -72.93 -48.18 39.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.942 1.297 . . . . 0.0 112.605 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.6 mm -50.42 -51.91 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 120.686 1.584 . . . . 0.0 112.522 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -45.26 79.25 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.01 -37.53 85.25 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.416 -0.803 . . . . 0.0 113.043 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 48' ' ' ILE . 97.4 t -61.29 -60.45 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.913 -1.117 . . . . 0.0 111.386 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -31.66 71.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' HB3' ' A' ' 25' ' ' LEU . 18.6 ttp180 -58.74 -57.07 14.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.894 1.278 . . . . 0.0 109.686 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.22 -45.14 80.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.885 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.91 -39.31 68.65 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.628 1.171 . . . . 0.0 112.577 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CE2' HD11 ' A' ' 80' ' ' LEU . 5.4 m-85 -70.58 -50.24 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.057 0.844 . . . . 0.0 113.095 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 30' ' ' ILE . 5.6 mp -67.94 -20.96 65.12 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.263 -0.898 . . . . 0.0 113.001 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -47.13 80.96 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.095 1.758 . . . . 0.0 113.216 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -29.33 51.14 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 111.352 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.84 8.53 87.38 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.92 1.724 . . . . 0.0 114.074 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -156.66 168.98 25.76 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.589 1.556 . . . . 0.0 111.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -15.19 62.55 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.28 56.94 2.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 111.406 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 80' ' ' LEU . 25.2 mt -60.19 154.72 19.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.638 1.175 . . . . 0.0 112.557 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -83.04 164.68 20.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.059 0.944 . . . . 0.0 110.954 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -52.84 -40.1 63.07 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.193 0.997 . . . . 0.0 112.254 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.48 -52.61 51.53 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.534 1.064 . . . . 0.0 113.569 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -41.39 81.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.192 1.496 . . . . 0.0 111.832 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -38.15 61.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.219 1.007 . . . . 0.0 112.63 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -59.49 3.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.003 1.321 . . . . 0.0 112.961 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.8 ttm -76.47 -37.35 57.01 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.752 HD22 HD12 ' A' ' 72' ' ' LEU . 3.9 tp -53.09 -51.42 61.91 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.739 0.816 . . . . 0.0 111.348 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -51.44 -35.88 41.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.916 1.286 . . . . 0.0 112.864 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -49.85 20.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.351 1.061 . . . . 0.0 111.635 175.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.27 73.45 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -51.7 68.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.55 2.34 . . . . 0.0 110.999 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -58.18 -25.06 61.09 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.54 1.136 . . . . 0.0 112.62 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.416 HD23 ' HD2' ' A' ' 89' ' ' LYS . 65.8 mt -92.46 -38.08 12.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.557 1.143 . . . . 0.0 112.972 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -47.46 -57.41 5.38 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.07 1.348 . . . . 0.0 110.152 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -18.37 20.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HD2' HD23 ' A' ' 86' ' ' LEU . 10.8 ttmt -64.59 -43.02 95.15 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.868 1.667 . . . . 0.0 113.146 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -81.33 -48.97 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.01 0.909 . . . . 0.0 108.915 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.671 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -61.7 -19.98 62.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.115 1.766 . . . . 0.0 114.058 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -49.11 -26.34 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.359 2.263 . . . . 0.0 113.987 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -70.13 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.964 1.306 . . . . 0.0 111.545 175.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.779 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.81 -18.2 61.49 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -46.72 55.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.925 1.29 . . . . 0.0 111.546 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.0 t70 47.05 30.31 1.27 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.769 2.028 . . . . 0.0 114.262 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -159.73 -164.24 1.3 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.689 1.996 . . . . 0.0 112.391 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.75 163.19 26.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.583 1.153 . . . . 0.0 112.076 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -55.87 -27.75 53.29 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.811 -1.181 . . . . 0.0 113.07 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.56 -26.22 12.71 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.896 1.678 . . . . 0.0 112.731 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.12 -55.29 34.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.913 1.233 . . . . 0.0 110.939 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -81.3 -43.43 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.964 1.305 . . . . 0.0 112.031 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -58.17 -47.43 83.42 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.799 0.727 . . . . 0.0 111.583 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -74.79 -19.77 60.07 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.933 0.893 . . . . 0.0 112.672 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.75 -21.51 64.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 119.739 -1.85 . . . . 0.0 111.114 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 87' ' ' LEU . 88.9 mt -58.05 -40.56 81.24 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 120.905 -1.122 . . . . 0.0 112.979 178.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -20.75 66.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -89.72 -28.95 19.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.616 2.367 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 25' ' ' LEU . 56.3 mt -79.78 -54.13 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 125.201 1.4 . . . . 0.0 110.517 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.0 m-85 -94.42 1.02 55.82 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.653 1.581 . . . . 0.0 113.575 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 128.171 2.588 . . . . 0.0 114.148 -177.687 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.69 -33.34 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.003 1.321 . . . . 0.0 112.307 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 tp -59.21 109.11 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.772 1.229 . . . . 0.0 111.931 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -143.14 175.83 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 125.852 1.661 . . . . 0.0 111.658 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -118.59 178.17 4.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.054 1.742 . . . . 0.0 110.519 175.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.7 -30.75 14.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.054 1.341 . . . . 0.0 113.073 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.43 -59.7 3.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.015 1.726 . . . . 0.0 112.789 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.38 -34.33 78.05 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.275 1.03 . . . . 0.0 110.695 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD22 ' A' ' 91' ' ' LEU . 87.3 t -57.42 -50.88 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.163 0.892 . . . . 0.0 110.118 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -31.74 68.33 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.308 -0.87 . . . . 0.0 112.799 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.37 -55.79 5.35 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.311 1.045 . . . . 0.0 112.15 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.531 HG11 HD21 ' A' ' 91' ' ' LEU . 12.7 p -56.52 -37.9 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.436 1.017 . . . . 0.0 111.561 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE1' HD13 ' A' ' 91' ' ' LEU . 3.7 m-85 -59.87 -30.05 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.017 0.527 . . . . 0.0 111.868 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -22.58 38.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 0.0 113.572 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.45 -47.94 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.601 1.16 . . . . 0.0 110.353 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.591 HD21 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -84.38 -16.89 41.19 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG23 ' A' ' 109' ' ' ILE . 6.1 tptp -55.84 -26.52 47.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 0.0 113.912 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.2 125.97 30.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.813 1.245 . . . . 0.0 112.515 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.9 mmmm -89.05 5.05 46.21 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.734 1.614 . . . . 0.0 114.007 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -97.23 18.57 14.74 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.387 1.875 . . . . 0.0 113.088 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 65' ' ' LEU . 2.5 pp -99.29 -7.48 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.008 1.723 . . . . 0.0 113.043 -178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 t -41.36 104.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.107 2.163 . . . . 0.0 111.863 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.62 141.22 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.574 1.15 . . . . 0.0 110.402 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.21 149.86 49.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.836 0.855 . . . . 0.0 111.86 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -41.44 90.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.413 1.085 . . . . 0.0 113.104 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -62.86 -44.12 96.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.445 1.098 . . . . 0.0 111.051 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -74.36 -28.26 61.04 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.226 1.01 . . . . 0.0 112.555 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -53.49 -52.1 60.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.877 1.271 . . . . 0.0 112.038 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.24 -28.82 43.86 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -79.85 -52.82 7.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.474 1.909 . . . . 0.0 111.252 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.28 56.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.388 1.475 . . . . 0.0 113.234 176.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -50.58 -40.55 52.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.799 1.24 . . . . 0.0 111.093 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -59.68 3.95 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.404 1.482 . . . . 0.0 113.042 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.64 -47.5 79.6 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 110.573 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -56.87 -43.37 81.15 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 117.877 -1.058 . . . . 0.0 111.97 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -30.58 67.76 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.577 1.08 . . . . 0.0 112.583 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.99 -41.55 28.76 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.764 1.226 . . . . 0.0 111.552 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.08 -17.13 6.2 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.047 -1.033 . . . . 0.0 113.265 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 59' ' ' VAL . 5.4 mm -70.51 -23.87 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.138 1.775 . . . . 0.0 112.745 177.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -120.24 -26.52 5.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.669 1.188 . . . . 0.0 113.399 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.28 -26.17 9.3 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.033 0.933 . . . . 0.0 112.731 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 150.21 43.61 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 124.305 0.955 . . . . 0.0 111.318 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 179.1 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.95 -1.125 . . . . 0.0 112.788 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.57 -51.75 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.731 1.212 . . . . 0.0 113.023 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -60.34 -34.04 73.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.05 1.34 . . . . 0.0 112.639 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.0 mt-10 -78.31 -50.98 10.81 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.225 1.01 . . . . 0.0 112.557 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.2 mm -48.83 -50.53 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.143 1.377 . . . . 0.0 112.17 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -58.18 -47.16 84.27 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.577 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.19 -38.15 76.17 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 48' ' ' ILE . 84.4 t -60.38 -64.92 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.243 1.017 . . . . 0.0 110.294 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.61 -32.85 65.68 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 21.5 ttp180 -61.31 -56.97 14.44 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.187 1.395 . . . . 0.0 110.301 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.91 -49.24 66.32 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.95 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mp -54.96 -41.98 71.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.678 0.791 . . . . 0.0 112.022 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.407 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.2 m-85 -63.38 -50.37 70.15 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.474 -1.392 . . . . 0.0 113.915 175.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 30' ' ' ILE . 6.4 mp -68.92 -25.92 64.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.13 -37.07 68.96 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.333 1.453 . . . . 0.0 112.84 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -29.26 13.34 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.154 1.382 . . . . 0.0 112.555 177.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.7 74.09 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.899 1.238 . . . . 0.0 114.269 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.6 158.59 44.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.93 1.692 . . . . 0.0 110.857 -175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -60.59 -38.84 85.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.531 1.133 . . . . 0.0 113.542 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -85.93 82.43 8.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.056 1.342 . . . . 0.0 110.75 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 64' ' ' TYR . 1.1 mp -64.65 159.41 22.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -65.36 153.63 40.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.081 -0.387 . . . . 0.0 110.31 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -53.55 -46.27 70.17 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.781 0.832 . . . . 0.0 112.244 177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.77 -39.67 97.78 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.695 0.664 . . . . 0.0 113.73 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.8 -49.62 29.38 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.39 1.076 . . . . 0.0 111.0 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -49.35 -33.65 13.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.047 1.739 . . . . 0.0 112.512 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -58.27 7.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.316 1.446 . . . . 0.0 112.62 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ttm -76.4 -39.16 54.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.669 0.788 . . . . 0.0 112.188 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -55.15 -46.73 75.72 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.942 0.897 . . . . 0.0 111.406 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -50.33 -38.35 41.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.915 1.286 . . . . 0.0 112.769 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -51.08 23.0 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.909 1.284 . . . . 0.0 111.473 175.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.27 -27.65 69.16 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -63.24 -55.51 24.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.131 2.172 . . . . 0.0 111.141 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -58.94 -21.56 58.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.558 1.143 . . . . 0.0 112.651 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.39 -39.35 11.49 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 125.331 1.452 . . . . 0.0 113.579 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.654 ' CD2' HD21 ' A' ' 106' ' ' LEU . 13.6 tp -48.79 -57.73 5.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.074 1.35 . . . . 0.0 109.941 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.13 20.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -63.46 -47.47 81.69 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.388 1.875 . . . . 0.0 112.002 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.76 -48.28 12.72 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.725 0.774 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.758 HD22 HG13 ' A' ' 18' ' ' VAL . 87.8 mt -61.95 -19.37 62.68 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.361 1.464 . . . . 0.0 113.049 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.1 t -42.76 -38.35 2.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.238 2.615 . . . . 0.0 112.862 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -61.08 2.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.307 1.043 . . . . 0.0 111.843 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.683 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.97 -21.21 60.89 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -46.66 71.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.038 1.335 . . . . 0.0 111.301 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t0 44.85 36.92 2.05 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.817 2.047 . . . . 0.0 113.81 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -165.44 0.68 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.056 2.142 . . . . 0.0 112.078 -170.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -66.32 161.34 22.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.791 1.237 . . . . 0.0 112.038 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -55.27 -28.55 54.17 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.933 -1.105 . . . . 0.0 113.104 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -26.26 13.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 112.66 175.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -55.43 -55.22 34.19 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.824 1.193 . . . . 0.0 111.12 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -81.07 -43.54 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.81 1.244 . . . . 0.0 112.63 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.67 -47.19 82.99 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.595 -0.691 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 t -74.77 -21.99 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.503 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.59 -21.01 66.14 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.852 -1.78 . . . . 0.0 110.792 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 87' ' ' LEU . 86.5 mt -55.74 -44.2 77.34 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.474 -1.391 . . . . 0.0 112.767 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -29.59 70.49 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.91 -36.94 56.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.014 1.726 . . . . 0.0 111.512 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 25' ' ' LEU . 38.1 mt -76.48 -59.89 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.344 1.058 . . . . 0.0 110.684 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -83.21 6.49 19.26 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.755 1.222 . . . . 0.0 112.93 -177.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.4 m120 . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 128.229 2.612 . . . . 0.0 113.302 -175.394 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -145.06 -31.99 0.4 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.379 1.472 . . . . 0.0 112.661 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 114.42 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.193 . . . . 0.0 112.017 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG21 HG11 ' A' ' 53' ' ' VAL . 2.5 pp -147.6 178.02 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.832 2.053 . . . . 0.0 111.909 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -120.68 179.32 4.38 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.319 1.847 . . . . 0.0 110.377 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.23 -25.66 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.97 -58.8 6.37 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.781 1.232 . . . . 0.0 113.089 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -42.57 90.93 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.965 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 91' ' ' LEU . 46.8 t -51.63 -34.39 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 118.997 0.817 . . . . 0.0 111.345 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -74.85 -42.97 56.94 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.181 -1.574 . . . . 0.0 112.694 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.66 -52.05 42.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.65 0.78 . . . . 0.0 112.137 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 91' ' ' LEU . 11.1 p -54.55 -39.81 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.194 0.907 . . . . 0.0 111.871 175.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.1 m-85 -60.15 -29.71 68.84 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.812 0.733 . . . . 0.0 112.75 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -77.4 -30.84 53.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.935 1.294 . . . . 0.0 112.416 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.97 -53.25 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.045 -1.034 . . . . 0.0 111.132 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.37 -9.84 59.68 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -56.5 -22.9 35.81 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -82.89 121.62 27.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.179 0.992 . . . . 0.0 112.07 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.655 ' HA ' HD21 ' A' ' 65' ' ' LEU . 2.1 mppt? -90.55 14.09 14.12 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.59 6.07 31.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 0.0 113.459 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -78.44 -8.18 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 126.084 1.753 . . . . 0.0 113.941 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -48.39 115.63 1.29 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.555 1.942 . . . . 0.0 113.106 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.732 HG21 ' HG3' ' A' ' 40' ' ' ARG . 7.9 p -80.3 152.7 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.827 -0.546 . . . . 0.0 111.25 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.17 140.25 58.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.017 . . . . 0.0 111.471 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -57.74 -25.08 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -73.54 -60.28 2.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.269 1.027 . . . . 0.0 110.916 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -62.54 -24.6 67.6 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.204 1.001 . . . . 0.0 112.691 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -49.87 -44.26 49.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.7 1.2 . . . . 0.0 112.862 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.15 -32.29 66.23 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.15 -41.44 14.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.397 1.479 . . . . 0.0 111.928 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.732 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.2 mmt180 -54.07 -35.1 61.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.104 1.362 . . . . 0.0 111.989 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.81 -42.45 68.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.808 0.843 . . . . 0.0 110.261 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -65.12 -56.51 12.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.98 1.312 . . . . 0.0 113.308 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.54 -49.84 69.31 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.623 0.647 . . . . 0.0 111.421 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -62.42 -35.34 78.94 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.117 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.56 65.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.716 1.206 . . . . 0.0 112.412 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -76.44 -39.37 53.57 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.331 -0.855 . . . . 0.0 111.381 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -55.37 -20.75 12.83 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.84 -19.48 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.338 1.055 . . . . 0.0 112.913 177.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -120.42 -32.74 4.03 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.931 1.692 . . . . 0.0 112.01 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -111.87 -32.9 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.058 1.343 . . . . 0.0 112.255 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.1 145.46 46.39 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 125.813 1.673 . . . . 0.0 111.937 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -82.83 179.14 7.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.158 -1.021 . . . . 0.0 113.257 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 13' ' ' ILE . 3.6 p -47.89 -50.76 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.316 1.447 . . . . 0.0 113.524 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -59.92 -30.0 68.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.041 1.336 . . . . 0.0 112.229 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.2 mt-10 -85.42 -45.18 12.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.606 1.562 . . . . 0.0 112.22 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.44 -51.18 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.464 1.506 . . . . 0.0 111.474 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.76 80.66 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.59 -36.72 79.25 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 48' ' ' ILE . 83.2 t -65.35 -61.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 123.811 0.844 . . . . 0.0 111.009 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.49 -32.83 65.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.3 ttp180 -59.58 -57.04 14.67 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 125.557 1.543 . . . . 0.0 109.872 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.38 -56.55 9.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.26 -0.4 . . . . 0.0 111.03 175.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.29 -40.07 58.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.173 0.989 . . . . 0.0 113.12 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.88 -50.46 62.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.655 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.0 mp -67.86 -19.33 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -47.53 68.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.647 1.112 . . . . 0.0 112.125 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -85.79 -28.52 24.47 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.431 0.692 . . . . 0.0 111.574 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.05 17.79 78.82 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.85 1.214 . . . . 0.0 113.47 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.21 171.6 17.15 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.921 1.688 . . . . 0.0 111.516 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -26.42 64.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -94.33 79.18 3.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.347 1.459 . . . . 0.0 112.339 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.639 HD12 HD22 ' A' ' 80' ' ' LEU . 33.7 mt -68.37 163.4 23.22 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.237 1.015 . . . . 0.0 112.609 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.7 m -63.96 152.7 39.3 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.899 -0.501 . . . . 0.0 111.334 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -51.46 -43.53 62.13 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.927 0.891 . . . . 0.0 111.977 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 -52.54 46.26 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.46 1.029 . . . . 0.0 113.038 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -55.07 -43.34 73.79 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.705 1.252 . . . . 0.0 111.889 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -56.03 -29.4 60.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.344 1.058 . . . . 0.0 113.31 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -55.32 35.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.871 1.268 . . . . 0.0 111.638 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttm -76.16 -39.79 54.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.574 0.749 . . . . 0.0 111.898 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 HD12 ' A' ' 72' ' ' LEU . 1.9 tp -56.14 -48.14 76.84 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.458 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.21 -41.14 26.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.534 1.133 . . . . 0.0 112.842 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -73.61 -51.42 16.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.376 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.52 67.25 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.919 0.887 . . . . 0.0 113.262 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -53.82 41.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.05 2.14 . . . . 0.0 110.643 174.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -60.25 -20.73 60.19 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.36 1.064 . . . . 0.0 112.698 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.43 -40.14 11.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.49 1.516 . . . . 0.0 112.447 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 106' ' ' LEU . 13.6 tp -47.46 -59.78 2.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.121 1.368 . . . . 0.0 110.616 176.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -18.23 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -65.34 -43.52 90.66 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.163 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.5 -48.99 11.98 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.815 0.817 . . . . 0.0 109.556 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 18' ' ' VAL . 86.4 mt -63.15 -19.02 64.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.822 1.649 . . . . 0.0 113.3 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.61 -38.13 1.91 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.312 2.645 . . . . 0.0 113.161 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -59.52 4.62 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.757 1.223 . . . . 0.0 112.459 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.604 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -78.99 -21.94 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -45.53 54.61 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.909 1.284 . . . . 0.0 111.108 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 48.05 28.64 1.52 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.991 2.116 . . . . 0.0 114.128 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.03 -163.74 1.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.279 2.231 . . . . 0.0 111.835 -170.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 m -66.84 161.74 23.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.863 1.265 . . . . 0.0 111.902 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -55.52 -28.3 53.9 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 121.099 -1.0 . . . . 0.0 113.245 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -27.37 13.23 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.965 1.706 . . . . 0.0 112.864 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.54 -52.23 65.55 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.813 1.188 . . . . 0.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.28 -47.17 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.548 1.139 . . . . 0.0 112.26 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.34 -45.81 80.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.674 0.79 . . . . 0.0 111.444 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -74.61 -32.5 62.34 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.04 -23.77 62.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.951 1.25 . . . . 0.0 111.923 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 87' ' ' LEU . 90.5 mt -56.56 -31.88 64.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.099 0.863 . . . . 0.0 111.697 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -60.18 -29.38 68.65 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -92.41 -23.7 19.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.595 1.958 . . . . 0.0 112.624 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 25' ' ' LEU . 51.2 mt -82.04 -43.24 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.041 1.336 . . . . 0.0 111.936 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.672 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -108.7 5.64 25.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.709 1.204 . . . . 0.0 113.235 -177.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 127.17 2.188 . . . . 0.0 113.381 -178.068 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -137.63 -36.75 0.62 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.729 1.612 . . . . 0.0 112.395 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.05 114.14 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.463 1.105 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.69 175.85 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.346 1.858 . . . . 0.0 112.067 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -112.58 179.32 4.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.13 1.772 . . . . 0.0 110.67 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.06 -24.97 11.14 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.49 -56.2 24.26 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.274 1.029 . . . . 0.0 112.947 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -42.83 89.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.07 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.76 HG11 ' HB3' ' A' ' 94' ' ' ALA . 67.5 t -54.7 -49.32 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.969 0.804 . . . . 0.0 110.037 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -65.69 -29.63 70.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.082 -1.011 . . . . 0.0 113.113 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.68 -55.96 5.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 112.771 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 91' ' ' LEU . 8.8 p -55.08 -39.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.068 1.347 . . . . 0.0 111.032 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -58.82 -32.36 69.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.241 0.616 . . . . 0.0 112.091 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -24.15 46.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.822 1.249 . . . . 0.0 113.638 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.03 -53.86 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.768 1.227 . . . . 0.0 110.387 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -81.18 -9.54 59.78 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -58.94 -29.96 67.51 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.03 134.04 40.21 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.53 1.132 . . . . 0.0 110.926 175.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -90.67 -2.62 57.83 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -83.39 18.38 1.83 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.94 1.696 . . . . 0.0 114.376 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 65' ' ' LEU . 2.3 pp -103.37 7.18 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.096 2.559 . . . . 0.0 113.163 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 p -49.83 127.18 15.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.292 1.437 . . . . 0.0 112.856 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.44 127.97 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.58 1.152 . . . . 0.0 109.79 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.4 140.84 58.91 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.352 1.061 . . . . 0.0 112.513 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -33.22 75.19 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.2 m -64.22 -42.94 96.37 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.225 -0.922 . . . . 0.0 111.393 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -82.5 -20.36 36.91 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.802 1.241 . . . . 0.0 112.493 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -44.59 68.39 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 0.0 112.673 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -52.63 -34.36 50.96 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -86.63 -40.82 14.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.082 1.353 . . . . 0.0 111.341 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -55.19 -33.92 63.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.784 1.634 . . . . 0.0 112.515 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.42 -40.74 68.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.615 0.766 . . . . 0.0 110.676 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -66.93 -55.93 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.435 1.494 . . . . 0.0 113.077 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.56 -52.65 61.41 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.645 0.657 . . . . 0.0 110.773 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -59.84 -36.0 75.91 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.078 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -31.58 62.94 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.18 1.355 . . . . 0.0 112.908 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.96 -38.62 36.56 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.314 -0.866 . . . . 0.0 111.311 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -19.51 17.62 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.763 HD11 HG11 ' A' ' 59' ' ' VAL . 4.0 mm -73.15 -17.32 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.694 1.198 . . . . 0.0 113.123 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -122.64 -31.89 3.66 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.907 1.683 . . . . 0.0 112.045 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 p -116.89 -28.48 6.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.359 1.464 . . . . 0.0 112.257 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.19 140.42 37.59 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 125.006 1.289 . . . . 0.0 111.265 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.15 174.86 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.259 -0.97 . . . . 0.0 112.455 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -47.07 -51.32 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.008 1.723 . . . . 0.0 113.082 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.08 -33.92 69.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.836 1.255 . . . . 0.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.66 -46.23 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.399 1.08 . . . . 0.0 113.507 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.9 mm -50.83 -50.58 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.714 1.597 . . . . 0.0 111.653 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.6 89.77 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.36 -35.43 80.37 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.787 -1.196 . . . . 0.0 113.399 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 48' ' ' ILE . 80.3 t -59.57 -66.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.807 0.843 . . . . 0.0 110.277 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -57.45 -32.86 67.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.684 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -57.23 -57.32 13.12 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.956 1.702 . . . . 0.0 110.292 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.06 -45.84 79.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.904 -0.569 . . . . 0.0 109.788 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.88 -37.86 77.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.475 1.11 . . . . 0.0 113.618 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.5 m-85 -68.09 -50.69 53.38 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.899 0.772 . . . . 0.0 113.081 175.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 30' ' ' ILE . 5.6 mp -70.24 -23.51 62.92 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.506 -0.746 . . . . 0.0 112.673 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.35 -35.92 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.834 1.254 . . . . 0.0 111.321 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD3' ' H ' ' A' ' 73' ' ' SER . 2.6 tptt -93.54 -32.15 14.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.058 0.543 . . . . 0.0 112.189 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.0 11.42 66.69 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.212 0.91 . . . . 0.0 114.339 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -130.62 157.34 43.0 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.141 1.776 . . . . 0.0 111.42 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.94 -38.65 91.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.118 1.367 . . . . 0.0 112.992 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 86.34 5.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.859 1.664 . . . . 0.0 109.898 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD12 HD22 ' A' ' 80' ' ' LEU . 60.6 mt -66.28 159.52 26.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.681 0.792 . . . . 0.0 112.227 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' HD3' ' A' ' 67' ' ' LYS . 2.1 m -65.58 152.85 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.711 0.804 . . . . 0.0 110.504 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -50.15 -43.99 52.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.086 0.954 . . . . 0.0 112.472 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.05 80.72 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.571 1.082 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.63 -45.02 66.0 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.814 1.307 . . . . 0.0 111.535 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -50.24 -36.73 32.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.424 1.489 . . . . 0.0 112.885 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -50.48 -59.18 4.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.21 1.804 . . . . 0.0 113.368 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 ttm -76.28 -33.59 59.11 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.913 0.779 . . . . 0.0 111.882 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.766 HD22 HD12 ' A' ' 72' ' ' LEU . 4.5 tp -54.0 -49.19 69.4 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.53 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -52.68 -39.37 61.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.56 1.144 . . . . 0.0 111.947 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -51.95 35.13 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.408 1.083 . . . . 0.0 111.364 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.79 68.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -64.68 -53.41 47.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.12 2.168 . . . . 0.0 111.348 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -22.46 56.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.921 0.889 . . . . 0.0 112.56 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.39 -39.41 11.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.225 1.41 . . . . 0.0 113.129 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 106' ' ' LEU . 16.3 tp -48.46 -57.56 5.93 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.503 1.521 . . . . 0.0 110.364 176.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 118.655 -0.688 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -45.63 85.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.415 1.486 . . . . 0.0 112.712 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.85 -48.83 10.33 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.117 0.961 . . . . 0.0 109.815 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 18' ' ' VAL . 90.6 mt -60.73 -22.29 63.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.809 2.044 . . . . 0.0 113.608 177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -28.08 2.45 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.225 2.61 . . . . 0.0 113.868 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -67.52 0.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.819 1.247 . . . . 0.0 111.218 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.76 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.12 -19.77 61.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -46.62 53.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.092 1.357 . . . . 0.0 111.962 175.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.6 t70 47.35 27.95 0.99 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 126.611 1.964 . . . . 0.0 114.655 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.38 -167.31 2.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.327 2.251 . . . . 0.0 111.715 -169.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.38 158.79 25.67 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.858 -1.151 . . . . 0.0 111.651 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -54.66 -28.05 44.48 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.286 -0.884 . . . . 0.0 112.854 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.26 -26.54 12.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.043 1.737 . . . . 0.0 112.217 174.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -59.78 4.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.405 1.457 . . . . 0.0 109.603 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.5 mt -79.51 -42.99 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.479 1.112 . . . . 0.0 111.619 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.84 -49.33 71.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.021 0.929 . . . . 0.0 111.441 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -74.87 -28.18 60.55 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -25.75 48.81 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.765 1.62 . . . . 0.0 112.71 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 87' ' ' LEU . 82.6 mt -54.42 -34.53 61.52 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.669 0.788 . . . . 0.0 112.181 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -63.0 -32.21 73.51 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.896 0.878 . . . . 0.0 113.122 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.83 -25.17 24.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.88 2.072 . . . . 0.0 113.086 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' LEU . 63.3 mt -76.48 -67.03 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.486 1.115 . . . . 0.0 109.975 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.3 m-85 -83.99 2.68 37.81 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.896 1.679 . . . . 0.0 113.224 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 CA--C 1.55 0.981 0 C-N-CA 127.401 2.28 . . . . 0.0 113.005 -177.824 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.709 0.29 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -162.57 -42.64 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.258 1.423 . . . . 0.0 110.828 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -43.63 106.34 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.349 1.86 . . . . 0.0 115.391 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.434 HD13 ' OD1' ' A' ' 17' ' ' ASP . 2.8 pp -148.04 176.4 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.606 1.962 . . . . 0.0 113.519 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -122.13 177.56 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.189 2.195 . . . . 0.0 111.748 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -27.27 9.44 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.621 1.168 . . . . 0.0 113.749 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.18 -57.89 10.89 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.446 1.021 . . . . 0.0 112.99 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' OD1' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -55.3 -38.2 68.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.962 0.905 . . . . 0.0 110.8 175.11 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 94' ' ' ALA . 70.9 t -56.79 -42.02 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -175.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -36.25 83.3 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.107 -0.995 . . . . 0.0 112.941 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.79 -53.95 23.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.748 1.219 . . . . 0.0 112.452 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.554 ' CG1' HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.67 -38.74 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.041 1.291 . . . . 0.0 111.594 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m-85 -61.91 -28.28 69.41 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -77.54 -30.61 52.86 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.084 1.353 . . . . 0.0 112.598 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -52.57 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -78.72 -11.09 59.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 176.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -56.03 -27.83 54.82 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.848 1.259 . . . . 0.0 114.382 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.8 145.35 42.98 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.318 1.047 . . . . 0.0 112.98 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 65' ' ' LEU . 1.8 mmmm -112.31 -3.53 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.167 1.387 . . . . 0.0 113.994 -175.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.88 6.22 49.12 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.403 1.881 . . . . 0.0 112.838 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 HD22 ' A' ' 65' ' ' LEU . 2.2 pp -75.17 -12.43 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.584 1.953 . . . . 0.0 113.837 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.5 p -46.88 104.24 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.657 2.383 . . . . 0.0 113.225 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.4 p -70.53 156.96 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.493 0.663 . . . . 0.0 112.548 -176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.94 148.47 47.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.658 1.183 . . . . 0.0 112.657 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 p -68.2 -35.37 77.88 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -66.7 -47.54 72.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.062 0.945 . . . . 0.0 110.486 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.7 m -68.89 -26.28 65.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.803 1.241 . . . . 0.0 113.079 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -52.82 -42.87 65.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.239 1.016 . . . . 0.0 112.705 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.64 -40.43 62.78 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.176 0.99 . . . . 0.0 113.066 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -82.61 -38.14 23.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.878 1.271 . . . . 0.0 111.646 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.6 mmt180 -55.77 -35.36 66.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.996 1.318 . . . . 0.0 112.148 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.37 -44.64 68.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.737 0.815 . . . . 0.0 110.613 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -60.68 -61.26 2.72 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.057 1.343 . . . . 0.0 112.3 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.67 -50.32 66.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.714 0.688 . . . . 0.0 111.383 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -59.88 -36.02 76.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.377 -0.82 . . . . 0.0 112.93 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -30.14 67.15 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.881 1.219 . . . . 0.0 112.588 174.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.82 -36.5 31.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.15 0.98 . . . . 0.0 111.665 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -18.08 23.26 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 175.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.811 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.86 -26.02 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.465 1.106 . . . . 0.0 112.922 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.07 -24.44 5.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.885 1.274 . . . . 0.0 113.659 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -110.61 -26.15 9.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.236 1.415 . . . . 0.0 112.682 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.83 156.55 47.83 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 124.514 1.054 . . . . 0.0 111.534 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.75 175.67 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.346 -0.927 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 p -52.01 -44.33 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.703 1.601 . . . . 0.0 111.45 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -62.54 -40.16 95.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.453 1.501 . . . . 0.0 110.971 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.1 mt-10 -72.49 -46.67 53.72 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.5 mm -48.48 -48.54 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.327 1.421 . . . . 0.0 111.358 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -59.9 -47.49 85.57 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.45 -34.87 74.62 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 48' ' ' ILE . 89.3 t -63.0 -62.98 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 124.441 1.096 . . . . 0.0 110.473 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.72 -32.98 69.7 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -59.9 -55.75 30.28 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.279 1.432 . . . . 0.0 110.169 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.12 62.22 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.079 0.237 . . . . 0.0 110.692 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.3 -43.86 61.77 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.965 1.306 . . . . 0.0 112.822 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.27 -50.57 65.24 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD22 HG13 ' A' ' 30' ' ' ILE . 5.9 mp -70.5 -25.26 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.289 -0.882 . . . . 0.0 112.375 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.55 -33.9 70.42 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.248 1.419 . . . . 0.0 111.935 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -32.32 15.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.982 0.913 . . . . 0.0 112.628 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.89 18.27 79.56 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.236 0.922 . . . . 0.0 114.585 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.93 177.51 10.07 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.779 1.631 . . . . 0.0 112.499 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -34.13 58.5 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.59 78.57 2.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.568 1.947 . . . . 0.0 110.94 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.675 HD12 HD22 ' A' ' 80' ' ' LEU . 12.2 mt -61.53 158.58 14.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 112.692 -177.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.2 t -63.0 152.32 37.21 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.071 0.948 . . . . 0.0 110.708 175.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.8 -39.48 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.719 0.808 . . . . 0.0 112.219 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.86 -52.05 54.49 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.389 0.995 . . . . 0.0 113.748 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -70.43 -41.79 72.43 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.595 1.158 . . . . 0.0 111.986 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -33.6 34.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.018 1.727 . . . . 0.0 112.665 178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -52.75 -59.78 4.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.786 1.634 . . . . 0.0 113.038 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.22 -36.8 58.41 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.184 0.594 . . . . 0.0 112.328 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD22 HD12 ' A' ' 72' ' ' LEU . 4.7 tp -54.12 -48.75 70.44 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.796 0.838 . . . . 0.0 111.688 176.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 -38.51 56.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.64 1.176 . . . . 0.0 112.569 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -70.16 -53.64 16.33 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.393 1.077 . . . . 0.0 110.91 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.23 69.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.15 -55.14 23.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.159 2.184 . . . . 0.0 110.144 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -60.43 -22.76 63.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.287 1.035 . . . . 0.0 112.817 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 mt -92.46 -32.35 14.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.094 1.758 . . . . 0.0 114.639 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 106' ' ' LEU . 12.2 tp -54.71 -61.25 2.43 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.133 1.373 . . . . 0.0 109.015 175.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -22.0 28.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-O 118.232 -0.89 . . . . 0.0 112.737 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -53.99 -55.25 28.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.322 1.449 . . . . 0.0 111.223 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.61 -39.9 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD21 ' CG1' ' A' ' 21' ' ' VAL . 80.4 mt -62.72 -19.5 63.98 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -44.54 -35.52 2.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 128.191 2.596 . . . . 0.0 113.222 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -70.41 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.636 1.574 . . . . 0.0 112.498 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.914 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.74 -19.59 62.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -45.16 48.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.69 1.196 . . . . 0.0 111.58 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 47.19 28.52 1.0 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.691 1.996 . . . . 0.0 114.386 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.81 -166.6 1.91 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.498 2.319 . . . . 0.0 111.676 -169.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -67.31 156.61 36.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.6 1.16 . . . . 0.0 111.467 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -53.86 -28.27 35.09 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.147 -0.97 . . . . 0.0 113.02 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -26.13 5.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.76 2.024 . . . . 0.0 112.75 174.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -59.87 4.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.679 1.127 . . . . 0.0 109.11 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.2 -43.07 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.505 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -56.03 -49.94 72.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.794 0.838 . . . . 0.0 111.297 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -74.83 -28.43 60.69 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.65 -25.79 29.1 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.738 1.608 . . . . 0.0 112.284 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.605 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -53.84 -32.4 52.78 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.623 0.769 . . . . 0.0 111.746 175.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -66.06 -30.19 70.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.018 0.927 . . . . 0.0 113.159 174.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -90.09 -19.98 23.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.011 2.124 . . . . 0.0 113.308 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 25' ' ' LEU . 59.9 mt -85.87 -63.2 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.15 1.38 . . . . 0.0 109.626 174.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.605 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.5 m-85 -84.3 2.69 39.01 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.552 1.541 . . . . 0.0 113.398 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 . . . . . 0 CA--C 1.547 0.856 0 C-N-CA 128.169 2.588 . . . . 0.0 113.947 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.36 -33.97 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.347 1.459 . . . . 0.0 112.494 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -59.24 111.13 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.767 1.227 . . . . 0.0 111.826 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -139.58 175.29 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.852 1.661 . . . . 0.0 112.69 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -115.2 175.71 5.39 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.991 2.116 . . . . 0.0 110.857 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.18 -27.12 8.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.527 1.131 . . . . 0.0 113.936 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.02 -55.24 35.2 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.746 1.157 . . . . 0.0 113.171 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -42.62 80.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.128 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG11 ' HB3' ' A' ' 94' ' ' ALA . 61.6 t -55.21 -42.1 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 118.371 0.532 . . . . 0.0 110.164 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -31.06 68.0 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.476 -1.39 . . . . 0.0 112.709 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -76.82 -54.5 6.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.372 1.469 . . . . 0.0 113.035 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 8.8 p -54.66 -37.67 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.337 1.055 . . . . 0.0 111.6 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -60.11 -30.56 69.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.262 0.625 . . . . 0.0 112.28 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -78.5 -29.75 46.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.216 1.406 . . . . 0.0 112.417 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.4 -53.12 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.302 1.041 . . . . 0.0 111.098 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -80.77 -9.77 59.78 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.779 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -54.86 -28.94 53.84 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -75.19 141.4 43.62 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.956 0.902 . . . . 0.0 112.877 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 -7.33 15.02 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -86.14 6.41 29.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.746 1.618 . . . . 0.0 113.252 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.453 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -73.02 -12.46 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.174 1.79 . . . . 0.0 113.667 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -48.05 104.16 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.885 2.074 . . . . 0.0 113.292 -171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG21 ' HG3' ' A' ' 40' ' ' ARG . 9.9 p -68.02 149.83 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.342 0.657 . . . . 0.0 112.079 -176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.39 151.84 46.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.037 0.935 . . . . 0.0 111.857 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.6 p -62.19 -46.64 88.04 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.8 m -60.71 -38.66 85.81 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.189 -0.945 . . . . 0.0 111.763 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -76.66 -28.25 55.9 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.896 0.879 . . . . 0.0 111.937 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 66' ' ' LEU . 8.7 t-105 -57.0 -47.52 80.65 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.961 1.304 . . . . 0.0 112.77 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -51.22 -32.21 23.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.816 0.847 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -86.89 -44.47 11.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.706 1.602 . . . . 0.0 111.88 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.667 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.3 mmt180 -53.49 -33.44 54.33 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.02 1.728 . . . . 0.0 112.712 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.01 -41.19 64.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.913 0.885 . . . . 0.0 111.065 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -67.56 -56.22 10.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.881 1.672 . . . . 0.0 112.478 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.2 -51.18 67.38 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.368 0.531 . . . . 0.0 111.565 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.3 m-30 -61.57 -34.21 75.2 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.938 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -33.69 67.52 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.707 1.14 . . . . 0.0 112.236 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -78.68 -37.25 42.23 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.236 -0.915 . . . . 0.0 111.521 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -54.05 -23.65 14.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 59' ' ' VAL . 4.9 mm -67.47 -21.61 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.86 1.264 . . . . 0.0 112.506 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -119.99 -31.98 4.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.334 1.854 . . . . 0.0 112.348 -173.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.5 p -116.09 -26.55 7.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.142 1.377 . . . . 0.0 112.622 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.9 152.49 47.38 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 124.797 1.189 . . . . 0.0 111.487 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.3 178.43 6.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.982 -1.109 . . . . 0.0 112.594 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -47.76 -52.07 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.295 1.438 . . . . 0.0 113.31 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.26 -30.05 68.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.291 1.437 . . . . 0.0 111.941 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.2 mt-10 -84.74 -46.4 11.46 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.484 1.114 . . . . 0.0 113.297 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.4 mm -50.01 -49.43 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 120.167 1.348 . . . . 0.0 110.77 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.54 93.11 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.72 -30.48 71.5 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.484 -1.385 . . . . 0.0 114.257 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.76 HG11 HD11 ' A' ' 48' ' ' ILE . 81.8 t -65.78 -63.73 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.324 1.05 . . . . 0.0 110.111 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.11 -30.59 66.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.136 0.575 . . . . 0.0 112.548 -179.408 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.36 -55.97 28.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.193 1.797 . . . . 0.0 111.573 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -53.03 58.41 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.6 0.562 . . . . 0.0 110.234 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -52.76 -44.79 66.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.086 1.354 . . . . 0.0 113.441 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -61.67 -50.74 71.28 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.222 1.009 . . . . 0.0 113.355 176.768 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD12 HD11 ' A' ' 30' ' ' ILE . 45.0 mt -71.43 -28.8 64.24 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.658 -0.651 . . . . 0.0 112.713 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 37' ' ' TRP . 10.9 mt -59.41 -37.15 77.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.468 1.107 . . . . 0.0 111.256 174.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.23 -32.3 58.83 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.465 0.706 . . . . 0.0 112.234 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.71 11.61 69.32 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.513 1.054 . . . . 0.0 114.462 -173.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.73 176.37 12.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.849 1.659 . . . . 0.0 111.541 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -31.26 60.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.345 1.458 . . . . 0.0 114.223 177.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.12 84.5 6.91 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.834 1.254 . . . . 0.0 111.375 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -59.92 150.25 29.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -63.8 159.9 18.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.931 0.492 . . . . 0.0 110.965 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.91 -45.35 67.54 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.771 0.714 . . . . 0.0 112.106 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.77 -52.67 18.9 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 119.375 -0.681 . . . . 0.0 112.234 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.725 1.263 . . . . 0.0 112.673 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.17 -30.29 64.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.161 0.985 . . . . 0.0 112.423 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -51.58 69.12 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.646 1.178 . . . . 0.0 111.972 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -76.44 -41.47 47.37 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 72' ' ' LEU . 4.1 tp -55.47 -46.65 76.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.549 0.74 . . . . 0.0 111.851 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -50.63 -40.16 52.35 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.752 1.221 . . . . 0.0 112.866 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.75 -49.6 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.117 0.967 . . . . 0.0 111.067 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.77 -29.44 69.42 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -63.89 -55.07 25.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.015 2.126 . . . . 0.0 110.903 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -59.78 -20.33 56.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.29 1.036 . . . . 0.0 112.634 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.38 -40.68 10.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.429 1.491 . . . . 0.0 112.944 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 106' ' ' LEU . 14.2 tp -48.46 -56.81 7.25 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.032 1.333 . . . . 0.0 110.973 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -15.69 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -69.38 -42.43 75.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.204 1.802 . . . . 0.0 112.467 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.3 -49.1 11.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.697 0.76 . . . . 0.0 109.731 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.675 HD22 HG13 ' A' ' 18' ' ' VAL . 94.8 mt -62.73 -19.25 63.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.021 1.728 . . . . 0.0 113.704 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -34.39 1.8 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 128.127 2.571 . . . . 0.0 113.743 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -68.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.556 1.542 . . . . 0.0 112.478 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.71 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.66 -19.63 62.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -45.3 62.39 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.771 1.228 . . . . 0.0 111.671 174.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t0 42.12 37.37 0.85 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 127.068 2.147 . . . . 0.0 113.675 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.03 -167.29 1.04 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.891 2.076 . . . . 0.0 111.815 -170.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 m -66.21 158.14 29.6 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.841 1.256 . . . . 0.0 111.524 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -55.3 -27.71 48.66 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.277 -0.889 . . . . 0.0 113.072 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.62 -25.48 10.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.811 1.644 . . . . 0.0 112.819 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -59.62 4.46 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.178 1.353 . . . . 0.0 108.976 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.38 -40.34 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.193 0.997 . . . . 0.0 111.784 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.88 -47.05 81.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.434 0.694 . . . . 0.0 111.405 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 m -74.69 -29.34 61.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.782 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -22.24 23.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.085 1.766 . . . . 0.0 112.922 175.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.657 HD22 ' CE2' ' A' ' 110' ' ' PHE . 84.7 mt -57.02 -37.98 72.49 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.796 -1.19 . . . . 0.0 111.767 174.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -24.95 66.77 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.638 0.654 . . . . 0.0 112.201 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.5 -26.65 26.12 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.677 1.591 . . . . 0.0 113.077 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 25' ' ' LEU . 36.2 mt -86.04 -67.7 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.135 1.374 . . . . 0.0 109.97 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.657 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.2 m-85 -78.79 -9.26 59.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.0 1.32 . . . . 0.0 113.09 -174.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t30 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 127.648 2.379 . . . . 0.0 114.036 177.088 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -35.33 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.471 1.508 . . . . 0.0 112.051 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.1 116.92 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.565 1.146 . . . . 0.0 112.049 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 53' ' ' VAL . 2.6 pp -147.98 168.52 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.125 1.77 . . . . 0.0 112.086 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 p -110.75 176.5 5.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.332 1.853 . . . . 0.0 111.427 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.48 -32.17 26.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.011 0.924 . . . . 0.0 112.961 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.6 -55.83 19.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.074 0.95 . . . . 0.0 112.59 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.16 -36.86 85.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.725 0.81 . . . . 0.0 111.512 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.0 t -55.45 -49.34 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.089 0.955 . . . . 0.0 110.272 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.57 75.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.591 -0.693 . . . . 0.0 112.303 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.47 -55.65 9.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.687 1.195 . . . . 0.0 112.002 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 91' ' ' LEU . 13.4 p -56.53 -42.44 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 119.019 0.827 . . . . 0.0 111.532 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.1 m-85 -54.57 -36.94 64.9 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.057 0.844 . . . . 0.0 112.082 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -27.04 67.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 0.0 114.061 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.21 -46.47 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.694 1.197 . . . . 0.0 110.45 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -83.21 -12.25 57.03 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 177.653 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -22.42 58.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.73 1.212 . . . . 0.0 114.053 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.03 121.81 28.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.856 0.862 . . . . 0.0 111.509 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.3 -9.83 58.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.173 0.989 . . . . 0.0 113.436 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.98 4.48 14.18 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.932 1.693 . . . . 0.0 114.0 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 65' ' ' LEU . 2.5 pp -79.69 -10.79 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.538 1.935 . . . . 0.0 113.724 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -46.39 104.09 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.333 2.253 . . . . 0.0 113.235 -174.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.614 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.7 p -68.85 150.32 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.353 0.597 . . . . 0.0 112.539 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 147.67 49.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.729 1.212 . . . . 0.0 112.017 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.68 86.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.475 1.11 . . . . 0.0 113.667 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -66.72 -44.24 82.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.651 -0.656 . . . . 0.0 110.797 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 m -73.35 -26.54 61.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.494 1.118 . . . . 0.0 112.641 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -53.47 -53.2 54.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.827 1.251 . . . . 0.0 112.86 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -54.59 -28.96 50.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.87 -45.67 34.35 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.614 ' HG3' HG21 ' A' ' 32' ' ' VAL . 7.2 mmt180 -61.78 -30.81 71.05 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.44 1.496 . . . . 0.0 113.002 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -50.64 -39.14 49.7 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.044 0.938 . . . . 0.0 110.542 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.08 -63.31 1.19 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.508 1.523 . . . . 0.0 112.993 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.47 -50.51 59.69 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.567 0.622 . . . . 0.0 111.534 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.665 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.4 m-30 -59.77 -38.74 82.65 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.09 0.956 . . . . 0.0 112.726 177.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -58.78 -30.2 67.39 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.921 1.237 . . . . 0.0 112.293 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.7 -32.82 31.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.344 -0.847 . . . . 0.0 111.946 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -59.1 -19.17 42.03 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.586 -0.696 . . . . 0.0 112.635 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.16 -20.98 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.318 1.047 . . . . 0.0 112.481 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -32.04 4.27 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.507 1.523 . . . . 0.0 112.497 -177.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 p -110.94 -25.69 9.69 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.105 1.362 . . . . 0.0 112.577 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.02 146.59 32.33 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 124.863 1.22 . . . . 0.0 111.158 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -177.42 6.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.954 -1.123 . . . . 0.0 113.678 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 13' ' ' ILE . 6.0 p -47.32 -52.36 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.743 1.217 . . . . 0.0 113.352 174.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -60.63 -35.07 75.27 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.674 1.189 . . . . 0.0 111.663 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.1 mt-10 -78.47 -48.96 14.29 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.961 1.304 . . . . 0.0 112.016 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.16 -50.06 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.286 1.434 . . . . 0.0 111.27 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -63.61 -33.15 74.97 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.13 -33.45 67.79 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.913 -1.117 . . . . 0.0 112.342 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 44' ' ' TYR . 89.9 t -62.72 -65.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.93 1.292 . . . . 0.0 110.122 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.723 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.0 -32.52 67.98 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.226 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.83 -52.87 63.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 126.65 1.98 . . . . 0.0 111.191 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -51.47 61.21 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.693 0.62 . . . . 0.0 110.299 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.55 -47.15 80.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 175.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.9 m-85 -55.99 -46.49 78.68 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.982 -1.074 . . . . 0.0 113.211 175.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 30' ' ' ILE . 38.5 mt -74.79 -25.92 59.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.43 -34.81 69.34 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.88 1.272 . . . . 0.0 112.157 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -81.2 -32.14 33.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.013 0.925 . . . . 0.0 112.287 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.57 -4.7 83.83 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.944 1.735 . . . . 0.0 114.895 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.72 167.22 25.2 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.043 2.137 . . . . 0.0 111.18 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -12.28 60.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.51 67.96 5.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.497 2.319 . . . . 0.0 111.562 177.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 80' ' ' LEU . 5.6 mp -60.56 151.12 29.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.82 1.248 . . . . 0.0 112.902 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -76.37 170.55 16.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.272 0.629 . . . . 0.0 110.83 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.0 -50.7 60.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.865 1.266 . . . . 0.0 112.727 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.62 -39.43 95.1 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 123.686 0.66 . . . . 0.0 113.753 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -72.87 -48.16 39.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.9 0.88 . . . . 0.0 110.435 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.52 -34.98 52.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.73 1.612 . . . . 0.0 112.938 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -59.52 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.399 1.48 . . . . 0.0 113.081 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.42 -41.0 49.18 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.02 0.528 . . . . 0.0 111.778 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 72' ' ' LEU . 8.0 tp -53.65 -45.93 70.38 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.913 0.885 . . . . 0.0 111.712 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -49.48 -41.57 40.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.898 1.679 . . . . 0.0 112.866 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.86 -50.05 22.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.06 0.944 . . . . 0.0 111.031 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.64 71.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -54.84 31.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.587 2.355 . . . . 0.0 110.889 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -55.38 -24.37 29.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.482 1.513 . . . . 0.0 113.0 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.38 -38.85 11.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.4 1.08 . . . . 0.0 113.468 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD22 HD11 ' A' ' 60' ' ' LEU . 19.7 tp -48.35 -61.41 2.01 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.394 1.478 . . . . 0.0 110.454 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -19.08 25.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.691 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -46.74 86.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.133 1.773 . . . . 0.0 112.254 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.89 -48.6 12.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.72 0.772 . . . . 0.0 109.644 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 18' ' ' VAL . 93.1 mt -61.83 -20.26 63.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.303 1.841 . . . . 0.0 112.811 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.03 -38.18 1.57 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.579 2.751 . . . . 0.0 113.016 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -63.21 1.26 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.318 1.047 . . . . 0.0 111.903 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.639 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.45 -21.88 61.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -44.63 67.29 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.848 1.259 . . . . 0.0 111.881 175.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 42.81 35.39 0.71 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.806 2.042 . . . . 0.0 114.176 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.4 -165.99 0.93 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.403 2.281 . . . . 0.0 111.458 -169.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.43 159.66 29.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.389 1.075 . . . . 0.0 111.557 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.31 -27.77 49.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.845 0.858 . . . . 0.0 112.991 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -26.74 12.76 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.178 1.791 . . . . 0.0 112.672 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -59.53 4.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.907 1.231 . . . . 0.0 109.38 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.23 -43.09 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 123.782 0.833 . . . . 0.0 111.864 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.17 -45.81 79.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.567 0.747 . . . . 0.0 111.359 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -74.7 -34.28 62.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -55.37 -21.97 17.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.039 1.29 . . . . 0.0 112.941 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 87' ' ' LEU . 88.0 mt -52.82 -44.12 66.44 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 119.145 0.884 . . . . 0.0 112.228 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.72 -31.85 69.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.721 0.809 . . . . 0.0 112.621 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -80.85 -30.22 35.69 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.302 1.841 . . . . 0.0 113.135 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.825 HG21 HD12 ' A' ' 25' ' ' LEU . 32.2 mt -80.98 -65.49 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.892 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.9 m-85 -73.76 -5.94 43.88 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.169 1.787 . . . . 0.0 112.893 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 CA--C 1.548 0.882 0 C-N-CA 127.438 2.295 . . . . 0.0 112.837 179.211 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -156.09 -34.61 0.09 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.514 1.526 . . . . 0.0 112.249 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 115.45 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.892 1.277 . . . . 0.0 112.216 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.25 174.77 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.676 1.99 . . . . 0.0 112.132 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 p -111.99 177.17 4.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.945 1.698 . . . . 0.0 110.458 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.52 -22.58 8.44 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.088 1.355 . . . . 0.0 114.001 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -60.41 -54.2 48.42 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.826 1.25 . . . . 0.0 112.854 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -42.99 80.37 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.816 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD22 ' A' ' 91' ' ' LEU . 45.4 t -55.89 -29.78 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 123.752 0.658 . . . . 0.0 110.909 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -76.96 -49.87 14.5 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.29 -1.506 . . . . 0.0 111.126 175.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -58.94 -51.7 68.92 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.754 1.222 . . . . 0.0 112.341 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 91' ' ' LEU . 11.7 p -55.73 -46.54 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.963 1.305 . . . . 0.0 111.66 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.5 m-85 -55.5 -38.66 69.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.218 0.917 . . . . 0.0 111.312 175.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.71 69.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.143 1.377 . . . . 0.0 114.082 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.97 -47.07 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.406 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.85 -13.56 55.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 178.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -58.04 -27.06 63.24 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.019 1.327 . . . . 0.0 114.201 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -82.03 121.58 26.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.052 1.341 . . . . 0.0 111.955 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.57 -5.34 59.14 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.31 6.32 12.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.673 1.989 . . . . 0.0 114.125 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -85.25 -8.14 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.066 2.146 . . . . 0.0 114.091 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -46.55 104.9 0.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.351 2.26 . . . . 0.0 113.968 -171.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.27 122.37 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.881 1.272 . . . . 0.0 111.269 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 137.77 58.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.505 1.522 . . . . 0.0 112.582 176.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -60.02 -30.66 69.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.944 1.297 . . . . 0.0 114.462 -174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -63.45 -46.42 86.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.791 1.236 . . . . 0.0 111.534 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.2 m -79.62 -24.81 41.68 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.286 1.035 . . . . 0.0 112.104 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -50.3 -45.59 54.72 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.559 1.072 . . . . 0.0 113.116 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -53.07 -32.47 47.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.108 0.963 . . . . 0.0 112.877 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.8 -41.75 13.84 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.435 1.894 . . . . 0.0 112.0 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.16 61.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.165 . . . . 0.0 112.06 175.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.09 -41.82 62.72 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.074 0.95 . . . . 0.0 111.09 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -65.5 -58.23 6.31 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.714 1.206 . . . . 0.0 112.736 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.48 -48.31 71.97 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.826 0.739 . . . . 0.0 111.114 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.614 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.6 m-30 -62.28 -37.93 87.39 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.104 0.961 . . . . 0.0 113.02 177.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -35.11 65.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.75 1.159 . . . . 0.0 112.39 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.38 -39.01 48.75 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.318 -0.864 . . . . 0.0 111.546 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -53.87 -23.09 11.4 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.654 HD11 HG11 ' A' ' 59' ' ' VAL . 5.2 mm -68.65 -20.72 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.417 1.087 . . . . 0.0 112.71 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -120.09 -32.48 4.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.703 2.001 . . . . 0.0 112.428 -173.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -114.17 -28.91 7.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.083 1.353 . . . . 0.0 112.228 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.27 142.95 33.63 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 125.34 1.448 . . . . 0.0 111.589 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.45 177.4 9.01 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.15 -52.35 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.063 1.745 . . . . 0.0 113.508 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -59.95 -27.01 66.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.509 1.524 . . . . 0.0 112.888 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.69 -46.49 9.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.213 1.405 . . . . 0.0 111.811 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.9 mm -52.35 -47.54 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.186 1.394 . . . . 0.0 110.749 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -61.64 -36.56 81.14 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.5 -46.29 76.73 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.327 -0.858 . . . . 0.0 110.094 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 48' ' ' ILE . 89.7 t -51.05 -63.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.581 1.152 . . . . 0.0 110.986 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -62.15 -48.91 78.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.579 1.952 . . . . 0.0 111.373 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -52.86 -51.75 59.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.25 0.62 . . . . 0.0 109.942 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.86 -41.36 97.74 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.68 -50.53 73.49 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.946 0.794 . . . . 0.0 112.501 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 30' ' ' ILE . 38.9 mt -74.44 -19.33 60.44 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -35.24 72.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.902 1.281 . . . . 0.0 111.899 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 -28.83 14.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.665 1.186 . . . . 0.0 111.991 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.67 17.8 74.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.093 1.33 . . . . 0.0 113.997 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -151.42 179.31 8.45 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.606 1.962 . . . . 0.0 111.664 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -8.86 33.62 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.523 1.529 . . . . 0.0 114.383 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -94.99 57.08 2.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.41 1.884 . . . . 0.0 110.669 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 80' ' ' LEU . 16.2 mt -56.74 140.65 46.83 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.981 0.912 . . . . 0.0 111.437 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -65.24 166.1 10.4 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.888 0.475 . . . . 0.0 110.946 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -48.44 -46.47 37.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.054 0.942 . . . . 0.0 112.575 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.53 -52.57 49.37 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.038 0.827 . . . . 0.0 113.624 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -68.0 -41.12 82.76 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.952 1.376 . . . . 0.0 112.056 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -56.82 -33.91 67.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.44 1.496 . . . . 0.0 113.101 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -50.71 -59.54 3.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.024 1.33 . . . . 0.0 112.78 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttm -76.42 -38.54 55.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.101 0.56 . . . . 0.0 112.084 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 72' ' ' LEU . 4.0 tp -54.46 -46.77 73.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.641 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -50.75 -39.8 53.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.046 1.338 . . . . 0.0 112.679 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -50.57 26.78 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.522 1.129 . . . . 0.0 111.256 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.04 69.77 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.415 HH11 HD21 ' A' ' 80' ' ' LEU . 13.5 mmm-85 -65.02 -54.8 24.67 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.347 2.259 . . . . 0.0 110.898 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t -58.25 -21.81 49.91 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.649 1.18 . . . . 0.0 112.603 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -92.27 -42.12 10.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.547 1.539 . . . . 0.0 112.967 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 106' ' ' LEU . 14.8 tp -46.74 -58.96 3.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.477 1.511 . . . . 0.0 110.23 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -19.51 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -61.57 -46.04 91.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.927 1.691 . . . . 0.0 112.044 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.7 -48.97 11.8 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.948 0.88 . . . . 0.0 109.597 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 21' ' ' VAL . 86.5 mt -62.39 -18.52 61.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.08 1.752 . . . . 0.0 113.11 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -43.36 -37.96 2.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.243 2.617 . . . . 0.0 113.398 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -61.41 2.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.11 1.364 . . . . 0.0 111.803 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.62 -24.63 58.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -43.98 50.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.58 1.152 . . . . 0.0 111.42 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.29 33.29 0.82 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.23 2.212 . . . . 0.0 113.78 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.47 -166.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.556 2.342 . . . . 0.0 111.381 -168.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.2 m -67.29 159.8 28.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.442 1.097 . . . . 0.0 111.723 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.11 -27.89 48.53 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.305 -0.872 . . . . 0.0 113.032 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 -27.9 13.07 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.465 175.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.75 -57.14 11.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 120.462 1.483 . . . . 0.0 109.924 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mt -81.25 -42.0 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.734 0.814 . . . . 0.0 111.687 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -57.03 -46.49 82.34 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.459 0.704 . . . . 0.0 111.682 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -32.82 62.32 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.95 -19.0 15.61 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.18 1.355 . . . . 0.0 113.032 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.613 HD22 ' CE2' ' A' ' 110' ' ' PHE . 83.7 mt -55.34 -36.69 66.56 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.383 0.992 . . . . 0.0 111.301 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -64.19 -25.42 68.07 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 0.0 112.731 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -91.22 -16.02 28.33 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.779 2.031 . . . . 0.0 113.191 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 25' ' ' LEU . 13.6 mt -95.59 -67.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.636 1.174 . . . . 0.0 110.831 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -77.58 -14.21 59.71 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.485 1.114 . . . . 0.0 112.727 -176.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 128.357 2.663 . . . . 0.0 114.257 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -159.68 -37.12 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.217 1.407 . . . . 0.0 112.058 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.43 116.38 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.729 1.212 . . . . 0.0 112.219 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.93 177.28 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 126.056 1.743 . . . . 0.0 112.095 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -114.95 177.27 4.71 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.687 1.995 . . . . 0.0 111.128 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.43 -29.74 6.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.294 1.038 . . . . 0.0 113.708 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.15 -56.3 21.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.981 1.313 . . . . 0.0 113.108 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -57.54 -42.89 83.82 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.879 174.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.775 HG13 HD22 ' A' ' 91' ' ' LEU . 47.2 t -55.36 -28.63 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.814 0.696 . . . . 0.0 110.936 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -48.66 16.66 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.274 -1.516 . . . . 0.0 111.665 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.53 -52.66 62.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.142 0.977 . . . . 0.0 112.594 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.791 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 p -52.98 -40.61 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.099 0.96 . . . . 0.0 111.761 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.9 m-85 -60.96 -33.2 72.83 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.375 0.67 . . . . 0.0 112.254 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 t -74.35 -29.62 61.65 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.414 1.085 . . . . 0.0 112.583 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.63 -53.01 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.962 -1.086 . . . . 0.0 111.455 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -81.36 -9.21 59.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.251 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -26.25 50.9 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.0 147.72 49.76 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.984 0.914 . . . . 0.0 112.62 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 65' ' ' LEU . 10.9 mmmm -112.45 -5.9 14.04 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.037 1.335 . . . . 0.0 114.353 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -92.73 10.82 29.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.265 1.426 . . . . 0.0 112.97 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.722 HG13 HD22 ' A' ' 65' ' ' LEU . 2.3 pp -75.12 -10.05 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.742 1.617 . . . . 0.0 112.943 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -42.45 104.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.841 2.456 . . . . 0.0 112.679 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG21 ' HG3' ' A' ' 40' ' ' ARG . 13.7 p -71.29 151.3 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.517 0.727 . . . . 0.0 111.569 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.42 145.16 56.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.046 0.938 . . . . 0.0 111.754 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 p -66.32 -41.74 89.23 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.956 1.302 . . . . 0.0 113.872 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.9 m -65.57 -42.83 91.33 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.279 -0.888 . . . . 0.0 111.268 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -75.49 -25.0 56.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.833 0.853 . . . . 0.0 112.449 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CE3' HD11 ' A' ' 66' ' ' LEU . 6.8 t-105 -51.46 -50.89 58.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.884 1.22 . . . . 0.0 112.264 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.12 -31.27 51.77 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -78.69 -46.02 20.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.158 1.383 . . . . 0.0 111.23 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 32' ' ' VAL . 1.2 mmp_? -58.34 -29.03 65.63 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.553 1.141 . . . . 0.0 112.366 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.68 -38.82 56.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.86 0.864 . . . . 0.0 110.463 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -65.34 -62.02 1.78 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.052 1.741 . . . . 0.0 112.469 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.5 -52.05 41.81 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.451 0.7 . . . . 0.0 111.204 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.668 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.8 m-30 -60.72 -38.42 85.03 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.092 -0.956 . . . . 0.0 113.089 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mtt -58.14 -29.46 65.57 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.048 1.294 . . . . 0.0 112.478 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.98 -42.24 33.45 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.189 0.995 . . . . 0.0 110.616 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -15.99 4.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 HG11 ' A' ' 59' ' ' VAL . 6.7 mm -72.08 -26.47 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.721 1.208 . . . . 0.0 112.628 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 -27.77 5.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.172 1.389 . . . . 0.0 113.358 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 p -106.78 -28.81 9.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.827 1.251 . . . . 0.0 111.854 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.2 154.41 51.83 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-O 122.377 0.987 . . . . 0.0 111.632 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 178.96 5.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.906 -1.147 . . . . 0.0 112.55 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.7 p -48.64 -48.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.856 1.262 . . . . 0.0 113.278 175.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -63.62 -28.96 70.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.032 1.333 . . . . 0.0 112.291 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.5 mt-10 -82.97 -49.08 9.97 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.61 1.164 . . . . 0.0 112.126 178.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.8 mm -49.59 -52.68 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.744 1.618 . . . . 0.0 112.211 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.68 77.57 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.76 -31.07 70.71 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.556 -1.34 . . . . 0.0 113.28 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.676 HG11 HD11 ' A' ' 48' ' ' ILE . 93.6 t -66.34 -65.3 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 123.961 0.904 . . . . 0.0 109.613 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.27 -30.58 62.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.47 -57.21 13.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 126.121 1.768 . . . . 0.0 110.421 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -49.04 68.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.275 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.19 -38.41 70.92 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.4 m-85 -70.24 -50.53 38.84 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.722 HD22 HG13 ' A' ' 30' ' ' ILE . 4.8 mp -69.02 -22.78 64.04 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.545 -0.722 . . . . 0.0 112.846 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.428 HD11 ' CE3' ' A' ' 37' ' ' TRP . 1.7 mt -55.81 -29.99 60.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.459 1.504 . . . . 0.0 113.053 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -25.83 13.64 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.055 1.342 . . . . 0.0 113.362 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.64 14.31 82.18 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.747 1.165 . . . . 0.0 114.47 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.71 166.63 30.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.196 1.798 . . . . 0.0 111.235 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -28.29 69.66 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.73 71.3 4.21 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.642 1.977 . . . . 0.0 111.405 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.891 HD12 HD22 ' A' ' 80' ' ' LEU . 31.0 mt -71.55 150.51 44.69 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.226 -0.922 . . . . 0.0 112.164 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.7 m -64.15 153.7 36.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.049 0.54 . . . . 0.0 110.002 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.22 -41.76 60.51 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.27 0.628 . . . . 0.0 112.294 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.14 52.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.171 0.891 . . . . 0.0 113.465 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.77 -44.79 76.62 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.029 1.415 . . . . 0.0 111.328 175.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.57 -34.91 27.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.726 1.21 . . . . 0.0 112.995 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -59.54 4.28 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.675 1.59 . . . . 0.0 112.844 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.0 ttm -76.36 -36.8 57.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.236 0.471 . . . . 0.0 112.092 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.891 HD22 HD12 ' A' ' 72' ' ' LEU . 5.3 tp -52.19 -48.48 64.99 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.936 0.894 . . . . 0.0 111.025 175.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.23 -33.73 54.11 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.498 1.045 . . . . 0.0 112.821 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -52.54 10.25 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.377 1.071 . . . . 0.0 110.927 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.07 71.3 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.41 -55.85 23.82 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.444 2.298 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -19.44 57.65 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.638 0.775 . . . . 0.0 112.775 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.1 mt -92.23 -38.96 11.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.377 1.471 . . . . 0.0 112.683 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 106' ' ' LEU . 14.9 tp -50.23 -57.43 7.82 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.839 1.256 . . . . 0.0 110.715 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -14.22 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -44.56 79.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.305 1.842 . . . . 0.0 112.225 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.3 -48.83 10.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.869 0.843 . . . . 0.0 110.051 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 21' ' ' VAL . 89.6 mt -62.19 -19.7 63.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 113.097 177.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.85 1.84 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.82 2.448 . . . . 0.0 113.672 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -67.29 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.235 1.414 . . . . 0.0 111.806 176.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.662 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -69.25 -22.36 63.84 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -46.45 60.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.474 1.109 . . . . 0.0 111.116 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 46.46 30.59 1.11 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.857 1.663 . . . . 0.0 114.146 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -167.07 1.43 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.077 2.151 . . . . 0.0 111.955 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.3 m -63.04 156.2 25.47 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.365 1.066 . . . . 0.0 111.379 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -55.53 -27.37 48.46 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.321 -0.862 . . . . 0.0 112.907 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -53.47 -23.5 10.36 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.409 1.484 . . . . 0.0 112.774 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.55 -59.89 4.5 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.106 1.321 . . . . 0.0 109.709 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -77.83 -40.5 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.82 0.848 . . . . 0.0 111.775 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.51 -46.84 80.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.685 0.794 . . . . 0.0 111.429 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.1 m -74.56 -33.09 62.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.946 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -25.24 18.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.863 1.665 . . . . 0.0 112.786 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 87' ' ' LEU . 85.3 mt -55.77 -32.25 63.3 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.494 -0.754 . . . . 0.0 111.622 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -29.83 70.48 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.136 0.974 . . . . 0.0 113.605 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.66 -29.19 18.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.762 2.025 . . . . 0.0 112.103 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 25' ' ' LEU . 64.9 mt -75.75 -63.87 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.318 1.447 . . . . 0.0 110.496 177.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.703 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.21 5.13 35.63 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.343 1.857 . . . . 0.0 112.884 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.5 t30 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 127.313 2.245 . . . . 0.0 113.691 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -137.73 -31.52 0.78 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.347 1.459 . . . . 0.0 113.168 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -61.28 107.81 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.561 1.545 . . . . 0.0 112.381 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.01 175.44 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.306 1.842 . . . . 0.0 112.4 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.6 p -115.81 179.29 4.02 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.54 2.336 . . . . 0.0 111.009 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.49 -25.83 7.25 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -56.86 -56.23 24.32 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.74 1.155 . . . . 0.0 112.999 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.36 89.42 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.224 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.777 HG11 ' HB3' ' A' ' 94' ' ' ALA . 57.1 t -55.92 -31.64 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 119.179 0.9 . . . . 0.0 111.768 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -42.94 37.03 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.328 -1.483 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.45 -52.51 52.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.092 0.957 . . . . 0.0 112.782 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.66 HG11 HD21 ' A' ' 91' ' ' LEU . 9.7 p -52.81 -42.94 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.495 1.518 . . . . 0.0 111.889 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -57.23 -44.06 83.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.902 0.774 . . . . 0.0 111.628 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -60.3 -23.7 64.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.306 1.442 . . . . 0.0 113.89 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.22 -47.23 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.575 1.15 . . . . 0.0 110.455 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.51 -15.9 41.29 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 178.691 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -56.11 -24.94 43.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 114.144 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.56 121.74 28.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.041 1.336 . . . . 0.0 112.344 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -81.83 -0.68 44.54 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 0.0 114.18 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -87.75 17.89 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.656 1.983 . . . . 0.0 113.422 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 65' ' ' LEU . 2.6 pp -101.04 -4.43 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.807 2.043 . . . . 0.0 112.822 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -46.6 104.16 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.218 2.207 . . . . 0.0 112.825 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.46 129.86 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.581 1.152 . . . . 0.0 109.868 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.06 140.95 58.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.758 0.823 . . . . 0.0 111.97 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -59.89 -34.98 73.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.216 1.407 . . . . 0.0 114.627 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -61.74 -43.94 97.87 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.523 -0.736 . . . . 0.0 111.06 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.3 m -81.66 -23.72 36.74 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.458 1.103 . . . . 0.0 112.56 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -51.43 -45.04 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.751 1.22 . . . . 0.0 112.826 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -51.85 -33.88 38.23 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.149 0.98 . . . . 0.0 112.873 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -86.87 -40.28 15.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.269 1.828 . . . . 0.0 112.512 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -35.9 60.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.29 1.036 . . . . 0.0 112.117 175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.41 -42.32 63.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.046 0.939 . . . . 0.0 110.958 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -63.98 -58.84 5.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.603 1.561 . . . . 0.0 112.683 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.06 -50.49 66.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.365 0.53 . . . . 0.0 110.764 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.658 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.7 m-30 -59.81 -37.48 79.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.997 0.919 . . . . 0.0 113.157 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mtt -57.91 -31.69 67.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.737 1.153 . . . . 0.0 112.359 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -80.92 -34.98 32.98 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.274 -0.892 . . . . 0.0 111.512 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -15.65 29.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.284 -0.885 . . . . 0.0 113.064 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -72.31 -25.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.627 1.103 . . . . 0.0 112.619 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.01 -26.42 5.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.502 1.521 . . . . 0.0 114.024 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -28.79 8.66 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.034 1.333 . . . . 0.0 112.112 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 141.39 31.02 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 124.812 1.196 . . . . 0.0 110.815 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.46 176.43 8.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.16 -1.02 . . . . 0.0 112.105 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.36 -49.9 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.707 1.603 . . . . 0.0 112.225 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -58.59 -26.77 63.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.761 1.224 . . . . 0.0 112.842 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -86.74 -46.02 10.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.922 1.289 . . . . 0.0 113.3 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -50.75 -48.89 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 121.071 1.759 . . . . 0.0 111.367 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.544 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.6 -38.5 84.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 176.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.31 -45.88 86.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.756 0.707 . . . . 0.0 110.624 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 48' ' ' ILE . 76.9 t -52.52 -64.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.685 1.194 . . . . 0.0 111.36 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.86 -35.21 68.62 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -60.48 -54.34 46.71 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.391 1.477 . . . . 0.0 109.803 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.49 -52.65 36.33 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.154 0.581 . . . . 0.0 110.159 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.68 -39.62 71.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 175.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.25 -50.59 63.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.926 -1.109 . . . . 0.0 113.517 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 30' ' ' ILE . 6.7 mp -68.62 -27.06 65.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.093 0.86 . . . . 0.0 112.689 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.58 -31.48 68.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.183 1.393 . . . . 0.0 113.116 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -30.4 10.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.577 1.551 . . . . 0.0 112.429 177.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.73 21.57 69.3 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.527 1.06 . . . . 0.0 114.27 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.93 163.95 31.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.749 1.62 . . . . 0.0 110.983 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.19 -37.17 72.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.188 0.995 . . . . 0.0 112.854 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.46 81.0 5.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.205 1.402 . . . . 0.0 109.989 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 80' ' ' LEU . 33.4 mt -62.96 162.27 11.59 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.115 0.566 . . . . 0.0 111.61 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 m -59.91 147.26 39.26 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.666 -0.646 . . . . 0.0 110.494 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -49.59 -43.55 46.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.991 0.917 . . . . 0.0 112.037 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.11 99.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.404 1.002 . . . . 0.0 114.515 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.69 -44.92 65.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.545 1.173 . . . . 0.0 111.035 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -51.76 -31.19 25.72 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.241 1.417 . . . . 0.0 112.825 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -53.72 -59.52 4.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.782 1.633 . . . . 0.0 112.521 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttm -76.15 -35.32 59.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.897 0.879 . . . . 0.0 111.895 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.73 HD22 HD12 ' A' ' 72' ' ' LEU . 4.1 tp -55.32 -47.62 75.38 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.959 -0.543 . . . . 0.0 111.446 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -53.49 -34.19 57.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.209 0.913 . . . . 0.0 112.359 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -72.73 -54.42 9.0 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.925 1.29 . . . . 0.0 110.54 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.2 69.46 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 80' ' ' LEU . 14.8 mmm-85 -61.5 -49.44 76.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.556 1.942 . . . . 0.0 111.371 174.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -63.02 -22.74 67.06 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.25 -35.94 13.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.034 2.134 . . . . 0.0 113.546 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD21 HD21 ' A' ' 106' ' ' LEU . 21.4 tp -50.44 -58.1 6.51 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.78 1.632 . . . . 0.0 109.778 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -20.17 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.831 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -55.93 26.13 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -177.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.06 -46.52 77.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.886 1.274 . . . . 0.0 111.27 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.66 HD21 HG11 ' A' ' 21' ' ' VAL . 88.9 mt -69.0 -18.08 64.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.5 t -47.11 -31.76 3.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.724 2.409 . . . . 0.0 113.192 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -70.19 0.12 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.199 1.4 . . . . 0.0 112.578 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.777 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.69 -17.58 60.65 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.79 -46.83 42.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.166 1.386 . . . . 0.0 111.529 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 t70 48.55 28.13 1.66 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 126.572 1.949 . . . . 0.0 114.194 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.48 -166.97 1.91 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 111.902 -169.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -69.04 159.97 31.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.722 1.209 . . . . 0.0 112.051 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.46 -27.59 57.31 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.034 -1.041 . . . . 0.0 112.976 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -23.99 16.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.975 1.31 . . . . 0.0 112.302 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -59.81 4.46 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.414 1.461 . . . . 0.0 109.039 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 mt -77.9 -41.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.399 1.08 . . . . 0.0 111.934 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.8 -46.35 87.78 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.818 0.847 . . . . 0.0 111.779 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -74.8 -32.18 61.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.693 0.797 . . . . 0.0 112.56 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -25.83 12.14 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.107 1.322 . . . . 0.0 113.033 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 62.2 mt -52.75 -41.31 63.9 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.984 -1.073 . . . . 0.0 113.332 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.73 -22.55 66.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -29.6 17.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.887 2.475 . . . . 0.0 112.187 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.746 HG21 HD12 ' A' ' 25' ' ' LEU . 16.4 mt -83.78 -66.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.69 1.196 . . . . 0.0 111.038 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.1 m-85 -76.81 -14.27 59.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.757 2.423 . . . . 0.0 113.349 -179.816 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.22 -29.78 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.42 1.088 . . . . 0.0 112.639 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 tp -57.2 106.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.748 1.619 . . . . 0.0 112.76 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -142.81 177.75 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 112.618 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -118.83 178.23 4.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.535 1.934 . . . . 0.0 110.413 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 1.6 tm-20 -50.96 -29.38 12.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.154 0.982 . . . . 0.0 113.534 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.33 -54.5 46.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.37 1.068 . . . . 0.0 112.721 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.81 -33.49 76.11 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.674 1.19 . . . . 0.0 111.594 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 94' ' ' ALA . 85.8 t -60.39 -34.49 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.77 0.714 . . . . 0.0 111.262 174.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.99 -31.33 64.44 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.249 -1.532 . . . . 0.0 112.736 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -75.44 -52.42 10.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.106 0.962 . . . . 0.0 112.528 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 91' ' ' LEU . 14.9 p -52.79 -39.77 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.43 1.092 . . . . 0.0 112.289 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.6 m-85 -60.47 -27.51 67.61 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 -24.08 39.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.324 1.45 . . . . 0.0 113.452 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.61 -53.11 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.64 1.176 . . . . 0.0 110.594 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.19 -10.18 59.75 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.682 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -26.15 59.79 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.84 146.83 45.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.268 1.027 . . . . 0.0 112.725 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HA ' HD21 ' A' ' 65' ' ' LEU . 5.5 mmmt -109.8 -5.72 15.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.012 1.325 . . . . 0.0 114.137 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -93.05 6.24 48.63 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.479 1.912 . . . . 0.0 113.024 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.71 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -73.74 -9.43 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.783 2.033 . . . . 0.0 113.597 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -48.49 106.83 0.11 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.72 2.008 . . . . 0.0 113.072 -172.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.09 135.09 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.766 0.827 . . . . 0.0 110.6 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 143.62 52.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.043 1.337 . . . . 0.0 112.22 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 m -60.11 -42.5 94.84 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.5 m -59.79 -40.17 87.39 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.379 -0.826 . . . . 0.0 111.501 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -81.6 -26.14 35.15 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.576 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -56.11 -48.03 76.95 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.373 1.469 . . . . 0.0 112.276 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -52.33 -34.46 47.27 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.651 0.781 . . . . 0.0 112.166 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -82.09 -41.7 20.19 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.37 1.868 . . . . 0.0 111.573 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.08 64.6 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.512 1.525 . . . . 0.0 113.026 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.6 -42.09 67.3 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.602 0.761 . . . . 0.0 111.079 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -65.49 -58.03 6.82 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.458 1.503 . . . . 0.0 112.442 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -52.62 -52.04 57.29 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.577 0.626 . . . . 0.0 111.133 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.647 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.1 m-30 -59.46 -37.42 78.11 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.382 -0.818 . . . . 0.0 113.192 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -30.89 67.27 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.479 1.036 . . . . 0.0 112.849 174.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.35 -41.22 28.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 111.032 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -54.24 -18.46 3.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.655 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.1 -26.88 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.845 1.258 . . . . 0.0 112.574 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -28.5 4.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.327 1.451 . . . . 0.0 113.362 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -107.05 -24.57 11.93 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.448 1.099 . . . . 0.0 112.366 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.72 157.51 50.59 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 124.197 0.903 . . . . 0.0 111.867 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.32 177.68 6.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.139 -1.03 . . . . 0.0 112.484 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -53.16 -46.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.302 1.041 . . . . 0.0 111.626 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.53 -38.31 89.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.982 0.913 . . . . 0.0 110.58 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.7 mt-10 -72.92 -49.32 30.29 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.2 mm -48.2 -50.35 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.928 1.694 . . . . 0.0 111.685 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.45 96.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -63.46 -40.87 98.27 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.092 -1.005 . . . . 0.0 111.996 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 48' ' ' ILE . 86.0 t -56.3 -63.38 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.526 1.13 . . . . 0.0 110.454 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 179.261 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -61.07 -54.46 44.42 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.834 1.654 . . . . 0.0 110.339 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -49.75 -53.41 25.13 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.94 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.21 -41.01 83.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -50.6 68.23 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.189 -0.945 . . . . 0.0 113.024 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD22 HG13 ' A' ' 30' ' ' ILE . 5.7 mp -70.67 -27.14 63.8 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 -36.28 71.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.461 1.104 . . . . 0.0 111.797 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.3 24.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.8 0.84 . . . . 0.0 111.942 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.65 19.63 79.25 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.771 1.176 . . . . 0.0 114.366 -175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.58 169.5 23.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.088 1.355 . . . . 0.0 111.864 -178.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -69.29 -40.27 77.82 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.661 1.184 . . . . 0.0 113.349 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.54 87.66 6.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.551 1.541 . . . . 0.0 110.894 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.805 HD12 HD22 ' A' ' 80' ' ' LEU . 14.9 mt -70.94 161.8 30.44 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.243 0.544 . . . . 0.0 112.069 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.8 m -64.64 151.44 44.82 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.773 0.429 . . . . 0.0 110.218 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -51.77 -39.79 59.21 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.562 0.745 . . . . 0.0 111.998 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.11 -52.78 50.73 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 123.941 0.782 . . . . 0.0 112.999 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.97 -40.12 90.98 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.659 1.23 . . . . 0.0 112.006 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -51.2 -31.56 20.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.775 1.23 . . . . 0.0 112.613 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -55.69 -58.95 5.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.672 1.589 . . . . 0.0 112.77 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -76.35 -38.71 55.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.628 0.771 . . . . 0.0 112.594 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.805 HD22 HD12 ' A' ' 72' ' ' LEU . 3.8 tp -54.69 -47.54 73.54 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.557 0.743 . . . . 0.0 111.595 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.52 -38.78 21.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.13 1.372 . . . . 0.0 112.766 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -54.38 9.14 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.455 1.102 . . . . 0.0 110.921 175.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.24 64.63 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.428 HH11 HD21 ' A' ' 80' ' ' LEU . 16.9 mmm-85 -64.04 -54.52 32.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.126 2.17 . . . . 0.0 111.084 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -60.82 -22.56 64.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.314 1.046 . . . . 0.0 112.676 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -92.41 -35.1 13.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.228 1.411 . . . . 0.0 113.291 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.647 HD21 HD21 ' A' ' 106' ' ' LEU . 12.6 tp -52.4 -58.04 7.96 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.826 1.651 . . . . 0.0 110.067 176.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -21.99 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.586 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -63.53 -53.57 49.83 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.154 1.382 . . . . 0.0 112.362 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 53' ' ' VAL . 3.5 pt-20 -66.4 -46.14 77.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.915 0.886 . . . . 0.0 111.569 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 21' ' ' VAL . 88.0 mt -69.09 -18.05 63.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 113.658 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 t -46.33 -33.86 4.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.959 2.504 . . . . 0.0 113.283 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -70.45 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.607 1.563 . . . . 0.0 112.58 175.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.42 -18.71 61.11 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.09 -46.63 44.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 111.293 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.9 t0 46.06 33.27 1.64 Allowed 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.012 1.725 . . . . 0.0 113.802 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.23 -167.49 1.48 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.406 2.283 . . . . 0.0 111.811 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.5 m -67.39 158.22 32.21 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.79 1.236 . . . . 0.0 111.648 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -54.28 -29.45 47.31 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.212 -0.93 . . . . 0.0 112.751 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -27.67 8.56 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.399 1.48 . . . . 0.0 112.344 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.1 -59.14 5.05 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.535 1.516 . . . . 0.0 110.252 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.13 -42.28 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.72 0.808 . . . . 0.0 111.788 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.95 -46.89 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.483 0.713 . . . . 0.0 111.44 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -74.74 -32.56 62.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.883 -1.056 . . . . 0.0 112.78 175.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.49 -25.74 17.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.3 1.409 . . . . 0.0 112.774 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 86.7 mt -53.24 -36.91 61.6 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.279 0.945 . . . . 0.0 111.993 174.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -63.49 -34.41 77.71 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -81.55 -29.17 33.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.333 1.853 . . . . 0.0 112.525 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 25' ' ' LEU . 61.7 mt -77.61 -62.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.021 1.328 . . . . 0.0 109.961 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.28 8.41 21.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.046 1.738 . . . . 0.0 113.3 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 127.504 2.322 . . . . 0.0 113.374 -179.593 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -96.74 142.88 28.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.25 1.42 . . . . 0.0 111.175 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.79 135.22 6.37 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.143 1.377 . . . . 0.0 110.803 175.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 ttt -118.85 47.58 1.63 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.103 1.361 . . . . 0.0 111.347 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.07 -144.93 16.1 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.22 1.867 . . . . 0.0 112.258 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -67.33 170.76 6.76 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.511 1.524 . . . . 0.0 111.907 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.1 -29.39 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.343 1.057 . . . . 0.0 113.335 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.33 -61.61 0.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 125.857 1.694 . . . . 0.0 112.439 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.68 178.82 0.94 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.807 1.243 . . . . 0.0 112.581 175.006 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 -82.29 0.63 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.019 1.328 . . . . 0.0 109.82 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -142.1 -34.5 0.46 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.267 1.427 . . . . 0.0 112.856 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 tp -59.82 105.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.112 1.365 . . . . 0.0 112.179 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.1 176.58 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.949 1.7 . . . . 0.0 112.102 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -119.67 179.42 4.24 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.187 2.195 . . . . 0.0 110.896 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -27.35 7.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -53.73 -60.59 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.085 1.754 . . . . 0.0 112.373 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -40.88 89.02 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.22 1.008 . . . . 0.0 110.536 175.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 91' ' ' LEU . 94.0 t -54.67 -49.24 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.634 1.106 . . . . 0.0 111.082 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -55.88 -43.19 76.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.881 0.873 . . . . 0.0 111.895 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -64.37 -49.84 70.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.092 0.957 . . . . 0.0 111.574 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 24' ' ' ILE . 56.1 t -52.0 -52.76 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.422 1.489 . . . . 0.0 111.076 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.02 -42.51 63.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.624 0.37 . . . . 0.0 111.499 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -25.01 63.27 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.974 1.31 . . . . 0.0 114.497 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 21' ' ' VAL . 23.6 mt -73.14 -45.29 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.716 1.606 . . . . 0.0 110.723 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -88.76 -12.7 41.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -30.17 41.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.014 1.726 . . . . 0.0 113.279 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.81 143.03 38.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.346 1.058 . . . . 0.0 112.748 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -105.84 -8.79 17.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.351 1.46 . . . . 0.0 113.923 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.3 6.78 28.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.896 1.679 . . . . 0.0 112.893 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 65' ' ' LEU . 2.3 pp -78.82 -11.18 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.319 1.848 . . . . 0.0 113.55 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -40.68 108.9 0.1 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.287 2.235 . . . . 0.0 112.117 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.3 p -72.91 151.13 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.41 0.684 . . . . 0.0 111.568 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.86 149.44 47.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.281 1.033 . . . . 0.0 112.165 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 p -66.4 -44.61 82.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.829 1.251 . . . . 0.0 114.057 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -59.25 -40.49 86.14 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.19 -0.944 . . . . 0.0 111.363 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.4 m -79.09 -27.18 42.93 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 112.69 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -52.56 -43.93 65.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.986 1.314 . . . . 0.0 112.607 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -51.69 -44.08 62.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.196 0.999 . . . . 0.0 112.577 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -79.47 -38.7 33.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.937 1.295 . . . . 0.0 111.858 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' A' ' 32' ' ' VAL . 6.2 mmt85 -54.63 -35.7 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.756 1.223 . . . . 0.0 112.289 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -53.62 -43.36 68.62 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.606 0.762 . . . . 0.0 110.668 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -63.39 -59.14 5.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.534 1.534 . . . . 0.0 112.762 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.13 -52.18 59.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.397 0.544 . . . . 0.0 111.001 176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.629 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.6 m-30 -58.56 -37.87 76.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.069 0.948 . . . . 0.0 112.788 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.54 -33.22 67.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.699 1.136 . . . . 0.0 112.482 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -80.43 -37.23 32.45 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.275 -0.891 . . . . 0.0 111.191 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -17.82 2.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.697 HD11 HG11 ' A' ' 59' ' ' VAL . 4.3 mm -74.42 -18.86 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.651 1.181 . . . . 0.0 113.049 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -121.59 -36.11 3.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.737 2.015 . . . . 0.0 112.216 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 t -113.64 -20.78 11.07 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.077 1.351 . . . . 0.0 112.993 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.15 143.73 32.39 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 122.441 1.023 . . . . 0.0 111.299 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.3 m -77.79 170.41 16.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.868 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.4 p -47.6 -49.75 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.415 1.886 . . . . 0.0 113.617 174.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -60.26 -27.74 67.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.432 1.093 . . . . 0.0 112.587 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.5 mt-10 -83.38 -47.99 10.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.282 1.433 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -48.7 -48.57 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.505 1.502 . . . . 0.0 111.782 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.86 -42.54 98.05 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.23 -38.71 90.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.599 0.76 . . . . 0.0 111.86 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.697 HG11 HD11 ' A' ' 48' ' ' ILE . 95.2 t -59.02 -67.64 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.067 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -53.93 -35.38 61.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -62.45 -53.34 56.25 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.758 1.623 . . . . 0.0 111.005 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.02 -53.54 40.57 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 119.021 -0.514 . . . . 0.0 110.182 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mp -54.87 -38.78 67.96 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -50.05 68.52 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 30' ' ' ILE . 26.9 mt -71.19 -26.4 62.94 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.64 -34.69 71.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 113.005 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -29.48 21.38 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.655 1.182 . . . . 0.0 111.99 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.68 20.47 72.13 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.31 0.957 . . . . 0.0 113.671 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.93 173.45 13.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.072 1.749 . . . . 0.0 111.329 -175.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -80.91 -60.43 2.3 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.933 1.293 . . . . 0.0 112.398 -175.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.88 86.95 3.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.154 0.982 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HD22 ' A' ' 80' ' ' LEU . 23.4 mt -60.1 154.99 18.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.957 0.503 . . . . 0.0 111.678 -177.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -66.23 163.11 18.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.064 -0.397 . . . . 0.0 110.641 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.65 -38.96 61.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.365 0.666 . . . . 0.0 111.92 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.52 47.48 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.981 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -67.98 -41.43 82.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.699 1.749 . . . . 0.0 111.126 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -53.87 -33.97 57.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.563 1.145 . . . . 0.0 112.952 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -59.49 4.55 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.971 1.259 . . . . 0.0 113.096 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.9 ttm -76.38 -39.02 54.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.201 0.601 . . . . 0.0 112.181 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD22 HD12 ' A' ' 72' ' ' LEU . 2.9 tp -56.13 -44.16 78.89 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -49.32 -39.81 32.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.948 1.299 . . . . 0.0 112.567 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -73.97 -54.06 8.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.875 0.87 . . . . 0.0 111.091 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.34 63.76 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.475 HH11 HD21 ' A' ' 80' ' ' LEU . 14.4 mmm-85 -62.31 -53.73 50.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.908 2.083 . . . . 0.0 111.434 174.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -59.97 -22.42 62.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.459 0.704 . . . . 0.0 112.778 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.48 -34.81 13.95 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.686 1.594 . . . . 0.0 113.311 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 106' ' ' LEU . 16.5 tp -53.18 -59.82 4.08 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.622 1.569 . . . . 0.0 109.645 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -19.25 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -67.29 -51.28 54.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.971 1.708 . . . . 0.0 112.423 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 53' ' ' VAL . 2.3 pt-20 -70.47 -47.31 61.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.693 0.797 . . . . 0.0 110.764 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.777 HD22 HG13 ' A' ' 18' ' ' VAL . 69.7 mt -68.06 -16.49 64.05 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.41 1.084 . . . . 0.0 113.073 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.4 t -44.62 -37.06 3.37 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.12 2.568 . . . . 0.0 113.485 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.97 15.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.527 1.131 . . . . 0.0 112.188 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -76.28 -20.18 57.59 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -45.86 77.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.322 1.049 . . . . 0.0 111.884 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.66 37.67 3.48 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.46 1.904 . . . . 0.0 113.291 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -164.66 0.5 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.354 1.862 . . . . 0.0 112.213 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -65.39 160.75 21.24 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.101 1.361 . . . . 0.0 111.632 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -55.61 -28.11 53.34 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.021 -1.05 . . . . 0.0 113.082 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -27.58 13.39 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.831 1.653 . . . . 0.0 112.268 175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.93 -52.92 62.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.904 1.229 . . . . 0.0 111.5 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.18 -46.83 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.577 1.151 . . . . 0.0 112.293 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -56.3 -46.44 79.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.856 0.862 . . . . 0.0 111.734 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -73.88 -36.03 64.76 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.282 1.033 . . . . 0.0 112.121 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -56.19 -23.05 32.92 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.677 1.126 . . . . 0.0 112.758 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 87' ' ' LEU . 96.2 mt -53.17 -37.99 62.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.313 0.96 . . . . 0.0 111.406 175.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 8.1 ptpt -61.73 -33.2 73.63 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.36 -25.53 39.13 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.781 2.033 . . . . 0.0 112.498 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 25' ' ' LEU . 18.9 mt -87.4 -61.15 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.762 1.225 . . . . 0.0 110.897 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.1 m-85 -80.45 2.41 25.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.56 1.544 . . . . 0.0 112.98 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 53.75 53.33 11.55 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.531 2.332 . . . . 0.0 113.393 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.7 -35.91 15.51 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.495 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . . . . . . . . 0 C--O 1.252 1.197 0 C-N-CA 127.491 2.317 . . . . 0.0 111.385 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -154.17 103.93 2.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.435 1.494 . . . . 0.0 111.779 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -104.4 79.33 1.57 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.137 1.375 . . . . 0.0 110.57 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.85 165.94 26.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.476 1.51 . . . . 0.0 111.998 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.47 -71.74 2.46 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.994 1.283 . . . . 0.0 112.346 -176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -158.05 162.78 38.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.844 1.658 . . . . 0.0 111.708 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.38 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.827 1.251 . . . . 0.0 112.849 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.4 4.72 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 126.076 1.798 . . . . 0.0 114.747 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.53 174.46 9.02 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.561 1.945 . . . . 0.0 112.019 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -88.84 -70.8 0.63 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.166 1.786 . . . . 0.0 111.516 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 -36.21 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.988 1.315 . . . . 0.0 112.793 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.42 127.86 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.766 0.826 . . . . 0.0 110.527 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -148.25 175.3 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 126.921 2.088 . . . . 0.0 112.192 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -109.55 176.86 4.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.655 1.982 . . . . 0.0 110.583 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -23.52 7.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.837 1.255 . . . . 0.0 114.168 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.0 -54.02 51.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.108 1.363 . . . . 0.0 112.288 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -42.4 94.72 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.045 174.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 91' ' ' LEU . 46.4 t -55.0 -28.5 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.646 0.591 . . . . 0.0 110.952 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.3 -48.78 13.52 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.621 -1.3 . . . . 0.0 111.475 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.12 -50.56 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.06 0.944 . . . . 0.0 112.549 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.799 HG11 HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.16 -46.96 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.86 1.264 . . . . 0.0 112.155 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -56.89 -40.26 75.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.596 0.635 . . . . 0.0 111.061 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -29.33 70.44 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.077 1.351 . . . . 0.0 113.934 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.68 -56.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.996 0.918 . . . . 0.0 110.123 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -73.24 -15.06 61.44 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -28.42 39.69 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.858 1.263 . . . . 0.0 114.145 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.79 139.0 41.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.366 1.066 . . . . 0.0 112.897 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.16 -7.5 21.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 114.173 -177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -89.05 3.73 50.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.847 1.659 . . . . 0.0 113.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.63 -14.53 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.21 1.804 . . . . 0.0 113.949 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -52.39 104.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.145 2.178 . . . . 0.0 113.061 -171.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.644 HG11 ' HG3' ' A' ' 40' ' ' ARG . 58.3 t -70.52 143.71 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.703 0.801 . . . . 0.0 111.175 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 147.87 39.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.357 1.463 . . . . 0.0 113.475 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -36.16 82.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.984 1.314 . . . . 0.0 114.471 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.92 -43.36 98.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.063 0.945 . . . . 0.0 111.329 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -80.24 -25.23 39.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.726 1.21 . . . . 0.0 112.559 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -53.56 -43.4 68.42 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.79 1.236 . . . . 0.0 113.006 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -50.92 -42.14 59.27 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.845 0.858 . . . . 0.0 113.173 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.94 -38.92 26.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.777 1.231 . . . . 0.0 111.83 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.45 -37.24 67.47 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.016 1.326 . . . . 0.0 112.443 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.85 -42.23 62.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.666 0.786 . . . . 0.0 110.386 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.39 -56.39 11.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.778 1.231 . . . . 0.0 113.412 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.07 -49.39 73.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.027 0.83 . . . . 0.0 111.654 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.679 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.1 m-30 -60.18 -36.09 76.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.872 0.869 . . . . 0.0 112.626 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -32.73 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.61 1.095 . . . . 0.0 112.081 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.74 -36.74 36.87 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.059 -1.026 . . . . 0.0 111.452 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -54.2 -22.41 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.712 HD11 HG11 ' A' ' 59' ' ' VAL . 5.3 mm -67.27 -19.43 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.211 1.404 . . . . 0.0 112.565 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -122.63 -34.14 3.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.682 1.993 . . . . 0.0 112.464 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.35 -26.19 9.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.594 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.28 144.65 32.2 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 125.368 1.461 . . . . 0.0 111.352 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -84.4 -177.25 6.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.325 -0.938 . . . . 0.0 113.006 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.34 -52.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.844 1.658 . . . . 0.0 113.925 175.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -60.77 -28.05 68.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.813 1.245 . . . . 0.0 112.203 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -85.87 -50.7 6.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.217 1.407 . . . . 0.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.0 -49.21 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.527 1.531 . . . . 0.0 111.156 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -62.96 -33.37 75.24 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.49 -33.47 64.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.797 -1.189 . . . . 0.0 111.855 174.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 48' ' ' ILE . 98.4 t -62.09 -62.88 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.649 1.18 . . . . 0.0 111.118 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.28 -32.75 71.49 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -177.279 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -59.03 -54.89 41.98 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 126.628 1.971 . . . . 0.0 110.48 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -53.05 52.45 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.487 0.492 . . . . 0.0 110.73 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.4 -47.87 66.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.837 1.255 . . . . 0.0 112.661 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 80' ' ' LEU . 1.6 m-85 -59.86 -50.6 73.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -69.39 -29.49 67.25 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.06 -26.5 64.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.702 1.201 . . . . 0.0 112.414 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -106.17 -32.27 8.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.767 1.227 . . . . 0.0 113.288 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 23.15 76.74 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.804 1.192 . . . . 0.0 113.854 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.25 157.3 47.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.379 1.472 . . . . 0.0 112.716 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -63.17 -34.93 78.7 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.62 1.968 . . . . 0.0 114.741 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.92 109.59 14.81 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.003 2.121 . . . . 0.0 109.028 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 64' ' ' TYR . 16.9 mt -72.07 172.89 9.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.517 0.727 . . . . 0.0 112.297 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.38 162.97 5.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.1 0.56 . . . . 0.0 112.042 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -50.22 -45.08 53.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.778 0.831 . . . . 0.0 112.449 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.0 -52.72 26.63 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.012 0.815 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.21 -37.63 83.69 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.072 -1.252 . . . . 0.0 112.432 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.93 64.06 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.696 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -56.31 22.13 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.796 1.18 . . . . 0.0 111.785 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.0 ttm -76.4 -37.75 56.68 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.963 0.505 . . . . 0.0 111.95 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 64' ' ' TYR . 6.7 tp -56.04 -49.09 74.71 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.383 0.673 . . . . 0.0 111.782 176.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.24 -39.74 57.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.772 1.229 . . . . 0.0 112.415 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -74.27 -49.43 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.091 0.956 . . . . 0.0 111.118 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.27 75.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.237 1.015 . . . . 0.0 113.411 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.47 69.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.281 2.232 . . . . 0.0 110.989 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 t -61.01 -21.39 63.53 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.361 1.064 . . . . 0.0 112.749 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.4 -37.4 12.6 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 113.48 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' CD2' HD21 ' A' ' 106' ' ' LEU . 17.0 tp -48.69 -58.62 4.47 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.8 1.24 . . . . 0.0 110.924 175.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -70.2 -16.03 19.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -179.171 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -67.27 -49.45 64.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.344 1.858 . . . . 0.0 111.712 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.45 -48.37 34.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.55 0.69 . . . . 0.0 110.147 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.799 HD21 HG11 ' A' ' 21' ' ' VAL . 91.5 mt -64.71 -15.5 61.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.468 1.507 . . . . 0.0 113.502 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -23.03 6.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.659 1.984 . . . . 0.0 114.115 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -69.09 0.26 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.832 1.253 . . . . 0.0 111.868 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.58 -10.95 60.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -41.2 42.97 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.668 1.187 . . . . 0.0 112.393 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 42.81 32.54 0.4 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.626 2.371 . . . . 0.0 114.207 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -167.55 -165.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.657 2.383 . . . . 0.0 111.633 -167.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 m -73.04 166.29 23.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.344 1.458 . . . . 0.0 112.665 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -58.91 -28.4 66.16 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.686 -1.259 . . . . 0.0 112.923 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -24.62 18.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.264 1.426 . . . . 0.0 112.575 175.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.02 -59.69 5.06 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 121.055 1.752 . . . . 0.0 110.293 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.413 ' HB ' HG22 ' A' ' 88' ' ' ILE . 5.8 mt -76.19 -39.58 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.901 -0.499 . . . . 0.0 111.421 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG3' HG21 ' A' ' 88' ' ' ILE . 32.9 mt-10 -60.69 -49.0 79.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.736 0.814 . . . . 0.0 112.364 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -74.44 -30.5 61.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -55.95 -21.97 23.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.027 1.285 . . . . 0.0 112.717 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 110' ' ' PHE . 76.0 mt -54.2 -35.49 62.42 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.989 0.916 . . . . 0.0 112.892 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -27.71 27.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.607 1.563 . . . . 0.0 112.219 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 25' ' ' LEU . 9.0 mt -86.49 -67.81 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.376 1.071 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.662 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -78.16 -10.5 59.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.781 1.233 . . . . 0.0 113.415 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.17 69.88 0.69 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.305 2.642 . . . . 0.0 113.794 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -30.14 14.67 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.706 2.002 . . . . 0.0 113.447 178.927 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -145.29 89.38 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.615 1.566 . . . . 0.0 111.627 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -150.79 179.69 8.0 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.809 1.644 . . . . 0.0 112.094 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mtm -115.52 152.54 32.8 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.34 1.856 . . . . 0.0 110.798 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.38 -87.61 0.1 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.592 1.091 . . . . 0.0 111.664 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -124.26 170.43 10.77 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.02 2.128 . . . . 0.0 112.593 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.17 162.95 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.518 1.127 . . . . 0.0 110.37 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -18.53 62.45 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 120.892 -1.13 . . . . 0.0 115.159 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.01 -178.06 3.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.92 2.088 . . . . 0.0 111.78 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -120.46 -80.95 0.63 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.012 1.325 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.65 -32.65 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.721 1.209 . . . . 0.0 112.464 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.19 107.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.068 1.347 . . . . 0.0 111.922 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.36 176.26 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.101 1.76 . . . . 0.0 112.229 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 177.67 4.66 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.756 2.023 . . . . 0.0 110.342 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.95 -30.26 5.75 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.891 1.277 . . . . 0.0 113.532 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -52.4 -57.63 9.23 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.168 1.387 . . . . 0.0 113.585 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.57 -42.59 88.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.287 174.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 HD22 ' A' ' 91' ' ' LEU . 47.8 t -54.47 -31.6 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.639 0.587 . . . . 0.0 110.684 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -50.16 16.95 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 120.563 -1.336 . . . . 0.0 111.779 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.65 -52.95 63.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.567 1.147 . . . . 0.0 112.271 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -55.91 -45.29 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.817 1.247 . . . . 0.0 111.587 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -56.86 -43.69 81.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.809 0.731 . . . . 0.0 110.63 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -25.47 66.52 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.17 -53.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 110.226 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.835 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -76.54 -15.5 59.85 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 179.129 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -28.97 38.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.304 1.442 . . . . 0.0 113.927 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.5 141.4 38.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.483 1.113 . . . . 0.0 112.81 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.93 -13.82 16.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.204 1.401 . . . . 0.0 113.548 -176.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -84.61 3.62 36.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.319 1.847 . . . . 0.0 113.355 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -70.93 -13.3 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.175 1.79 . . . . 0.0 113.975 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -44.71 106.15 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.091 2.157 . . . . 0.0 112.608 -176.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.6 p -69.32 154.8 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.648 0.779 . . . . 0.0 112.042 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.23 148.61 51.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.195 0.998 . . . . 0.0 112.378 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -66.72 -38.28 86.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.1 m -65.54 -45.21 84.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.095 0.958 . . . . 0.0 110.855 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.1 m -72.56 -26.12 61.61 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.464 1.106 . . . . 0.0 112.792 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -52.91 -42.64 65.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.378 1.071 . . . . 0.0 112.571 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.88 -37.31 68.66 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.429 -0.795 . . . . 0.0 112.939 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -44.05 20.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.403 1.481 . . . . 0.0 111.388 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.616 ' HG3' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -50.94 -32.18 20.03 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.037 1.335 . . . . 0.0 113.178 174.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.4 -39.68 70.47 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.763 0.425 . . . . 0.0 111.075 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -65.0 -64.5 0.85 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.761 1.624 . . . . 0.0 112.455 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -54.31 -40.61 68.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.904 0.775 . . . . 0.0 112.218 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.9 m-30 -66.93 -39.04 87.23 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.992 174.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.5 mtt -59.66 -33.06 71.06 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.79 1.177 . . . . 0.0 112.207 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.14 -33.61 38.41 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.259 -0.9 . . . . 0.0 111.47 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -58.19 -13.66 5.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 59' ' ' VAL . 7.9 mm -72.96 -33.85 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.953 1.301 . . . . 0.0 112.885 177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -28.56 6.73 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.862 1.265 . . . . 0.0 113.416 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.08 -33.62 10.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.977 1.711 . . . . 0.0 111.165 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.79 51.8 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-O 122.71 1.172 . . . . 0.0 112.867 -173.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -88.4 176.01 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.624 -1.288 . . . . 0.0 111.859 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.41 -49.21 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.029 1.732 . . . . 0.0 112.748 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -59.37 -31.9 69.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.8 mt-10 -82.45 -48.29 11.25 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.618 1.167 . . . . 0.0 112.688 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 mm -48.76 -50.32 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.923 1.289 . . . . 0.0 111.308 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.74 -33.68 76.19 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.99 -34.56 71.51 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.83 -1.169 . . . . 0.0 112.106 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 48' ' ' ILE . 78.3 t -60.84 -64.11 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.06 1.344 . . . . 0.0 110.65 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.85 -33.74 70.79 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -60.56 -55.75 29.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 125.907 1.683 . . . . 0.0 110.565 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -51.52 64.22 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 123.497 0.498 . . . . 0.0 110.444 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.22 -44.84 68.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.494 1.118 . . . . 0.0 112.73 175.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.1 m-85 -59.4 -50.62 73.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 175.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 30' ' ' ILE . 17.9 mt -72.47 -29.16 63.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.76 -36.87 75.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.545 1.538 . . . . 0.0 112.001 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -82.84 -29.09 29.7 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 175.186 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.07 16.1 72.58 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.763 1.173 . . . . 0.0 114.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -154.99 160.59 41.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.14 1.376 . . . . 0.0 111.821 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -63.14 -39.41 94.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.644 1.578 . . . . 0.0 114.171 174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.41 77.7 8.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -59.1 152.32 20.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.362 0.665 . . . . 0.0 112.588 -179.168 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.403 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 t -67.19 154.54 41.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 122.66 0.384 . . . . 0.0 110.404 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -51.01 -42.53 60.47 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.594 0.758 . . . . 0.0 112.357 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 -52.09 51.1 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.434 1.016 . . . . 0.0 113.477 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.34 -37.78 86.12 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.218 -1.166 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -57.22 -30.69 64.8 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.996 1.318 . . . . 0.0 112.615 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -57.79 -56.74 18.05 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.772 1.169 . . . . 0.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.35 -37.63 57.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.464 0.705 . . . . 0.0 112.072 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 72' ' ' LEU . 1.8 tp -57.29 -47.47 81.38 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.049 0.94 . . . . 0.0 111.679 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.38 -39.28 46.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.743 1.217 . . . . 0.0 112.753 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -53.22 13.37 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.946 0.898 . . . . 0.0 110.935 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.81 66.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.989 0.915 . . . . 0.0 113.395 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -63.98 -55.2 24.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.08 2.152 . . . . 0.0 110.951 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -60.73 -20.16 60.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.293 1.037 . . . . 0.0 112.695 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 mt -92.39 -40.63 10.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.362 1.465 . . . . 0.0 112.809 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.702 HD21 HD21 ' A' ' 106' ' ' LEU . 14.4 tp -47.61 -60.06 2.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.594 1.557 . . . . 0.0 110.215 176.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.421 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.3 -18.47 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.193 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -63.59 -45.11 91.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.089 1.756 . . . . 0.0 112.059 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.44 -48.92 11.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 122.115 0.96 . . . . 0.0 109.455 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 21' ' ' VAL . 78.7 mt -62.5 -19.14 63.28 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.426 1.891 . . . . 0.0 113.095 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -42.61 -38.28 1.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 128.025 2.53 . . . . 0.0 113.195 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -59.58 4.62 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.8 1.24 . . . . 0.0 112.374 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.655 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.58 -22.84 50.32 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -46.1 48.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.849 1.26 . . . . 0.0 111.101 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.3 t70 47.83 29.37 1.58 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.101 2.16 . . . . 0.0 114.111 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -166.14 1.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.819 2.448 . . . . 0.0 111.155 -169.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 m -66.46 161.63 22.37 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.987 1.315 . . . . 0.0 112.385 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -55.52 -28.04 52.4 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.893 -1.129 . . . . 0.0 113.249 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -29.35 12.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.978 1.711 . . . . 0.0 112.404 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.26 -53.15 59.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.81 1.186 . . . . 0.0 111.619 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.18 -46.28 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.506 1.123 . . . . 0.0 112.371 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HG3' HG21 ' A' ' 88' ' ' ILE . 14.5 mt-10 -54.31 -46.47 72.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.472 0.709 . . . . 0.0 111.23 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -33.91 62.81 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.33 -24.27 42.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.245 1.384 . . . . 0.0 112.289 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.704 HD22 ' CE2' ' A' ' 110' ' ' PHE . 93.5 mt -55.26 -35.69 65.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.007 0.821 . . . . 0.0 111.697 175.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.86 -32.42 72.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.95 0.9 . . . . 0.0 112.785 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -80.73 -33.71 34.98 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.415 1.486 . . . . 0.0 111.716 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 25' ' ' LEU . 14.2 mt -76.41 -63.0 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.125 0.97 . . . . 0.0 111.103 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.704 ' CE2' HD22 ' A' ' 106' ' ' LEU . 6.1 m-85 -80.27 -0.76 37.86 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.182 1.393 . . . . 0.0 113.247 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 56.91 53.78 7.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.28 2.632 . . . . 0.0 113.433 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.1 mt -89.87 -35.32 15.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.497 1.519 . . . . 0.0 112.911 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.267 0 C-N-CA 127.729 2.411 . . . . 0.0 113.751 -171.074 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -134.86 87.99 2.39 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.726 1.611 . . . . 0.0 111.216 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -68.51 152.3 45.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.529 0.732 . . . . 0.0 110.626 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.2 ptm -122.03 160.9 23.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.302 1.441 . . . . 0.0 111.815 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.99 -67.73 2.05 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.093 1.33 . . . . 0.0 112.633 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p -115.34 161.72 18.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.05 1.74 . . . . 0.0 112.173 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.98 -22.77 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 125.834 1.654 . . . . 0.0 114.054 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.97 -9.77 3.9 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.74 1.638 . . . . 0.0 114.604 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.51 176.08 8.03 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.316 1.847 . . . . 0.0 112.21 177.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -93.02 -66.63 0.91 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.074 1.75 . . . . 0.0 112.474 -176.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.02 -40.62 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.286 1.434 . . . . 0.0 112.163 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.09 129.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.211 0.604 . . . . 0.0 110.398 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.683 HG21 HG11 ' A' ' 53' ' ' VAL . 2.9 pp -145.79 176.43 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.288 1.835 . . . . 0.0 112.324 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -111.94 171.35 7.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.273 1.829 . . . . 0.0 110.572 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -51.18 -31.09 18.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.808 1.243 . . . . 0.0 113.561 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.26 -52.06 60.23 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.087 1.355 . . . . 0.0 112.689 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.62 -32.11 71.76 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.16 0.984 . . . . 0.0 110.62 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.837 HG13 HD22 ' A' ' 91' ' ' LEU . 45.2 t -60.64 -42.69 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.853 0.861 . . . . 0.0 109.872 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -66.51 -28.83 68.86 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.371 -1.456 . . . . 0.0 113.199 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -77.51 -55.71 5.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.181 0.993 . . . . 0.0 112.553 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 13.1 p -53.46 -38.78 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.276 1.031 . . . . 0.0 111.818 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.473 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -60.1 -29.38 68.56 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -79.3 -28.29 42.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.751 1.221 . . . . 0.0 112.807 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.66 -53.6 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.295 1.038 . . . . 0.0 110.766 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.97 -9.29 59.67 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -56.63 -27.14 57.73 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.97 145.66 42.36 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.377 1.071 . . . . 0.0 112.791 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.8 mmmm -110.54 -2.85 16.27 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.47 4.82 52.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.622 1.169 . . . . 0.0 113.061 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 65' ' ' LEU . 2.1 pp -74.86 -16.21 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.007 1.723 . . . . 0.0 113.846 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -47.19 116.99 1.56 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.474 1.91 . . . . 0.0 113.072 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.755 HG11 ' HG3' ' A' ' 40' ' ' ARG . 86.7 t -85.6 132.98 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.722 0.809 . . . . 0.0 110.667 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.89 147.63 18.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.398 1.479 . . . . 0.0 113.458 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -58.57 -36.32 73.76 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.244 1.418 . . . . 0.0 114.533 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 m -60.64 -45.21 94.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.835 1.254 . . . . 0.0 111.57 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.4 m -78.61 -28.16 45.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 111.774 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -56.58 -47.31 79.83 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.342 1.457 . . . . 0.0 113.316 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -32.15 43.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.627 0.771 . . . . 0.0 112.164 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -85.41 -43.37 13.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.335 1.454 . . . . 0.0 111.238 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.755 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.58 -33.81 64.25 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.26 1.824 . . . . 0.0 112.576 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.96 -40.09 60.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.652 0.781 . . . . 0.0 110.383 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.43 -55.83 10.52 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 113.627 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.0 -49.95 70.21 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.041 0.837 . . . . 0.0 111.377 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -61.31 -34.94 76.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.863 0.865 . . . . 0.0 112.79 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.506 1.048 . . . . 0.0 111.924 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -79.12 -33.79 43.96 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.177 -0.952 . . . . 0.0 111.452 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -19.78 48.51 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.647 . . . . 0.0 112.532 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 59' ' ' VAL . 5.6 mm -70.61 -19.62 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.55 1.14 . . . . 0.0 112.349 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -121.35 -33.34 3.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.304 1.842 . . . . 0.0 112.341 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.0 p -113.28 -25.27 8.93 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.432 1.493 . . . . 0.0 112.689 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.94 150.12 42.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 124.617 1.103 . . . . 0.0 111.32 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -176.84 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.356 -0.922 . . . . 0.0 113.139 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.2 -52.8 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.477 1.111 . . . . 0.0 113.848 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -59.37 -33.86 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.117 1.367 . . . . 0.0 111.918 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -79.92 -50.05 11.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.213 1.005 . . . . 0.0 112.062 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -49.38 -50.01 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.6 1.56 . . . . 0.0 111.35 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.1 88.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.69 -32.63 74.18 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.776 -1.202 . . . . 0.0 113.665 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.626 HG13 ' HB3' ' A' ' 44' ' ' TYR . 95.0 t -63.13 -66.23 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 123.561 0.745 . . . . 0.0 110.552 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.44 -32.05 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.023 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -57.68 -56.57 20.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 126.084 1.754 . . . . 0.0 109.962 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -53.42 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.55 0.34 . . . . 0.0 111.541 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD11 ' SD ' ' A' ' 79' ' ' MET . 1.4 mt -51.83 -44.74 63.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.572 0.749 . . . . 0.0 112.339 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.84 -49.81 73.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.401 1.0 . . . . 0.0 113.562 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.3 mp -68.48 -22.38 64.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -42.42 62.99 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.176 0.991 . . . . 0.0 112.415 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -94.61 -26.43 16.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.006 0.922 . . . . 0.0 112.562 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.54 12.37 81.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.895 1.236 . . . . 0.0 114.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.05 166.01 29.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.382 1.873 . . . . 0.0 111.755 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -63.0 -33.27 75.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.758 1.223 . . . . 0.0 113.871 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.76 91.19 5.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.073 1.349 . . . . 0.0 111.311 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.01 152.77 23.2 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.453 1.101 . . . . 0.0 112.706 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.7 m -64.53 154.81 34.93 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.257 0.623 . . . . 0.0 111.016 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -51.12 -45.6 61.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.149 0.98 . . . . 0.0 112.487 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.15 54.5 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.298 0.951 . . . . 0.0 112.995 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.76 -40.32 96.9 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.982 1.391 . . . . 0.0 111.711 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -31.05 61.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.024 0.93 . . . . 0.0 112.917 177.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -56.66 19.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.306 1.042 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' HD11 ' A' ' 63' ' ' LEU . 5.5 ttm -75.92 -38.82 57.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.438 0.695 . . . . 0.0 112.024 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.62 -48.73 71.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.602 -0.713 . . . . 0.0 111.274 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.66 -40.88 41.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.808 1.243 . . . . 0.0 112.783 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -73.43 -51.47 17.13 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.673 0.789 . . . . 0.0 111.084 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -31.0 68.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.088 0.955 . . . . 0.0 113.271 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -54.91 26.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.377 2.271 . . . . 0.0 110.616 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -20.08 61.24 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.211 1.004 . . . . 0.0 112.753 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.37 -39.69 11.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.572 1.549 . . . . 0.0 112.861 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 106' ' ' LEU . 13.5 tp -47.43 -57.04 5.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.335 1.454 . . . . 0.0 110.933 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.432 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -72.76 -13.99 16.73 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -69.1 -44.31 72.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.611 1.964 . . . . 0.0 112.374 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.18 -48.58 12.93 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.607 0.717 . . . . 0.0 110.252 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.837 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -64.28 -17.09 63.31 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.86 1.664 . . . . 0.0 113.257 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -47.07 -34.64 6.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.148 2.179 . . . . 0.0 113.508 179.082 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -62.61 1.7 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.63 -25.86 65.95 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -57.31 -54.87 41.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.432 1.093 . . . . 0.0 111.145 175.196 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.2 t70 47.89 32.58 2.83 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 125.475 1.51 . . . . 0.0 114.494 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -169.1 2.97 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.167 2.187 . . . . 0.0 112.233 -171.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.8 m -62.95 147.93 49.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.218 1.407 . . . . 0.0 111.218 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -49.72 -29.14 7.05 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.428 1.013 . . . . 0.0 113.723 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -25.26 6.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.893 1.677 . . . . 0.0 112.034 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -57.76 -59.48 5.16 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 110.198 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.78 -38.87 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.662 0.785 . . . . 0.0 111.358 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.432 ' HG3' HG21 ' A' ' 88' ' ' ILE . 23.0 mt-10 -59.73 -49.4 77.87 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.119 0.968 . . . . 0.0 111.859 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -74.22 -27.06 60.61 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.817 -1.087 . . . . 0.0 111.977 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -27.17 52.91 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.968 1.713 . . . . 0.0 111.529 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -54.3 -33.66 59.26 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.99 0.916 . . . . 0.0 112.072 175.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.461 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -61.89 -31.03 71.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.005 0.922 . . . . 0.0 113.473 176.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 tmmt? -90.67 -24.82 20.35 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.691 2.397 . . . . 0.0 112.092 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 25' ' ' LEU . 61.4 mt -77.56 -66.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.958 1.303 . . . . 0.0 109.932 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.6 m-85 -85.39 6.28 27.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.142 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 53.24 49.7 19.29 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.575 2.35 . . . . 0.0 113.505 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.5 -20.88 27.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.898 1.679 . . . . 0.0 113.062 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.461 ' HB2' ' HG3' ' A' ' 107' ' ' LYS . . . . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.192 1.797 . . . . 0.0 113.051 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -143.13 157.96 44.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.377 1.471 . . . . 0.0 111.713 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -156.2 149.18 24.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.451 1.501 . . . . 0.0 110.822 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.8 mtt -120.29 153.43 36.4 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.146 1.378 . . . . 0.0 109.749 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.3 -152.84 10.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.361 0.981 . . . . 0.0 112.024 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.12 165.06 2.71 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.752 1.221 . . . . 0.0 111.338 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.22 -27.17 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.38 -46.28 1.1 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 126.348 1.928 . . . . 0.0 113.386 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.76 -168.47 1.22 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.997 1.319 . . . . 0.0 111.645 174.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -128.54 -84.8 0.57 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.826 2.05 . . . . 0.0 109.509 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 -38.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.363 1.065 . . . . 0.0 112.658 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -59.95 109.89 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.298 1.439 . . . . 0.0 112.305 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.97 177.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.219 1.807 . . . . 0.0 112.055 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.4 p -116.76 179.86 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.623 1.969 . . . . 0.0 110.749 174.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -49.41 -29.97 7.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.41 1.084 . . . . 0.0 113.552 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -52.7 -57.21 10.83 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.979 1.711 . . . . 0.0 112.621 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -43.42 98.91 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.217 1.007 . . . . 0.0 110.542 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 91' ' ' LEU . 94.8 t -56.89 -49.9 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -53.87 -43.1 69.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.585 1.154 . . . . 0.0 111.979 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -65.14 -53.09 50.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.407 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.2 t -48.15 -49.52 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.917 1.687 . . . . 0.0 111.929 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.91 -35.46 61.67 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -74.76 -24.28 58.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 114.148 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 21' ' ' VAL . 71.1 mt -69.41 -49.71 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.517 1.527 . . . . 0.0 110.675 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.56 -11.68 53.48 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -56.74 -25.35 54.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.223 1.409 . . . . 0.0 114.11 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.77 137.8 35.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.697 1.199 . . . . 0.0 112.524 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' HD22 ' A' ' 65' ' ' LEU . 12.6 mmmm -102.2 7.28 40.89 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.799 1.64 . . . . 0.0 113.713 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -97.64 11.08 38.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.398 1.879 . . . . 0.0 113.286 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 65' ' ' LEU . 2.7 pp -92.63 -8.55 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.541 1.937 . . . . 0.0 113.173 -177.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 p -45.42 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.325 2.25 . . . . 0.0 113.12 -174.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.84 133.82 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.933 0.893 . . . . 0.0 109.9 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.09 143.95 54.45 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.679 1.191 . . . . 0.0 112.59 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -36.31 81.34 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -59.9 -43.03 95.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.329 1.052 . . . . 0.0 111.494 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -84.53 -23.0 29.95 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.477 1.111 . . . . 0.0 112.647 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.07 -45.51 64.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.702 1.201 . . . . 0.0 112.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -50.27 -35.56 27.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.312 1.045 . . . . 0.0 113.213 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -86.25 -40.4 15.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.57 1.548 . . . . 0.0 111.714 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.69 61.31 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 112.607 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.6 -41.7 70.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.02 0.928 . . . . 0.0 110.998 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -66.87 -57.24 7.37 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.606 1.562 . . . . 0.0 112.166 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.81 -51.34 61.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.378 0.671 . . . . 0.0 111.092 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.648 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.3 m-30 -60.8 -37.64 82.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.901 0.88 . . . . 0.0 113.17 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -33.69 66.48 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.587 1.085 . . . . 0.0 112.541 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.81 -39.42 43.86 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.466 -0.772 . . . . 0.0 111.049 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -17.15 5.02 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 59' ' ' VAL . 6.5 mm -72.19 -23.92 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.643 1.177 . . . . 0.0 112.423 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 -27.83 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.407 1.483 . . . . 0.0 113.751 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.7 p -108.42 -27.97 9.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.944 1.297 . . . . 0.0 111.79 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.67 145.29 40.0 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 124.559 1.076 . . . . 0.0 111.12 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -83.45 175.79 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.39 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 90' ' ' GLU . 2.6 p -49.63 -46.56 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.657 1.583 . . . . 0.0 113.541 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.55 -24.76 67.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.892 0.877 . . . . 0.0 113.243 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.7 mt-10 -87.97 -50.4 6.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.582 1.553 . . . . 0.0 112.2 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.83 -50.19 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.846 1.657 . . . . 0.0 112.586 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.39 77.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.68 -42.11 82.95 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.236 -0.915 . . . . 0.0 111.653 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 48' ' ' ILE . 98.1 t -57.02 -63.33 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.2 -32.99 68.8 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -62.66 -54.12 44.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.631 1.572 . . . . 0.0 110.61 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.84 -52.46 41.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.037 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.99 -44.26 70.71 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.02 -50.68 72.39 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.174 -0.954 . . . . 0.0 112.937 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 30' ' ' ILE . 12.9 mt -71.73 -25.85 62.23 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.26 -25.77 64.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.587 1.555 . . . . 0.0 112.577 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -108.73 -30.19 8.3 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.582 1.553 . . . . 0.0 113.43 175.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.21 77.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.137 0.875 . . . . 0.0 114.235 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -148.3 179.25 7.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.777 1.631 . . . . 0.0 112.218 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -41.71 51.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.767 1.227 . . . . 0.0 113.861 175.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -95.02 73.8 3.46 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.022 1.329 . . . . 0.0 111.245 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 HD22 ' A' ' 80' ' ' LEU . 20.7 mt -56.8 166.86 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.638 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.421 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -61.84 149.13 41.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 175.558 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.91 -38.89 62.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.546 0.738 . . . . 0.0 112.278 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.67 97.1 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.077 0.846 . . . . 0.0 113.811 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -72.98 -45.16 59.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.374 1.087 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -49.04 -34.29 13.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.604 1.561 . . . . 0.0 112.577 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -50.03 -59.9 3.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.636 1.574 . . . . 0.0 113.102 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.21 -38.89 55.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.592 0.757 . . . . 0.0 112.192 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 72' ' ' LEU . 5.8 tp -54.5 -46.31 73.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 123.322 0.649 . . . . 0.0 110.964 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -51.84 -39.86 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.853 1.261 . . . . 0.0 112.399 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -74.17 -48.35 29.78 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.495 1.118 . . . . 0.0 111.508 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.19 83.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.216 1.006 . . . . 0.0 113.38 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -49.99 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.876 2.07 . . . . 0.0 110.25 174.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -21.2 63.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.466 HD23 ' CE ' ' A' ' 89' ' ' LYS . 21.1 mt -92.19 -35.63 13.73 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.083 1.353 . . . . 0.0 113.671 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 60' ' ' LEU . 14.6 tp -50.74 -58.71 5.25 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.409 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -18.16 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.679 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' CE ' HD23 ' A' ' 86' ' ' LEU . 21.1 ttpt -72.27 -49.81 31.95 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.964 2.106 . . . . 0.0 112.766 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 53' ' ' VAL . 6.3 pt-20 -74.41 -48.48 27.49 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.553 1.141 . . . . 0.0 111.998 175.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 18' ' ' VAL . 96.7 mt -66.82 -15.07 63.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.271 1.029 . . . . 0.0 112.508 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -33.8 1.83 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.874 2.07 . . . . 0.0 114.426 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -62.35 1.82 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.571 1.548 . . . . 0.0 111.979 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.21 -24.91 65.89 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -59.02 -54.75 43.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.674 1.189 . . . . 0.0 110.796 175.029 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 48.94 35.78 7.28 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.961 1.305 . . . . 0.0 113.585 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -160.87 -169.76 2.5 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.417 1.887 . . . . 0.0 112.786 -172.336 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 m -60.19 147.66 39.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.066 1.347 . . . . 0.0 111.406 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -51.0 -30.23 14.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.228 1.011 . . . . 0.0 113.606 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -25.42 5.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.997 1.719 . . . . 0.0 112.539 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.69 -59.56 4.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.017 1.28 . . . . 0.0 110.162 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.401 HD12 ' HD3' ' A' ' 95' ' ' LYS . 18.0 mt -80.12 -36.89 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.561 0.745 . . . . 0.0 111.362 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.92 -49.77 76.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.775 0.83 . . . . 0.0 111.848 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -74.78 -23.34 58.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.561 -0.733 . . . . 0.0 112.349 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' OD1' ' HE3' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -57.78 -23.61 53.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.909 1.686 . . . . 0.0 112.404 175.093 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.695 HD22 ' CE2' ' A' ' 110' ' ' PHE . 75.9 mt -54.61 -42.49 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.802 -1.187 . . . . 0.0 112.794 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -20.08 65.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HE3' ' OD1' ' A' ' 105' ' ' ASP . 2.8 tmmt? -92.44 -16.39 25.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.97 2.108 . . . . 0.0 112.931 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 25' ' ' LEU . 25.3 mt -98.41 -68.04 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 125.235 1.414 . . . . 0.0 109.926 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.695 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -74.59 -10.4 59.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.803 1.241 . . . . 0.0 112.894 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.3 t30 54.15 60.44 3.59 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.304 1.842 . . . . 0.0 112.623 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -21.61 55.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.06 0.944 . . . . 0.0 113.333 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.928 1.691 . . . . 0.0 112.63 179.734 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 m -140.13 158.4 44.11 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.661 1.584 . . . . 0.0 111.689 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -132.05 106.19 7.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.043 1.737 . . . . 0.0 110.632 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.07 157.47 46.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.815 1.646 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.03 -164.9 22.04 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.865 0.745 . . . . 0.0 113.49 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -67.84 162.34 24.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.653 0.781 . . . . 0.0 111.781 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.825 1.25 . . . . 0.0 113.593 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.61 -52.73 0.82 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.016 1.769 . . . . 0.0 113.051 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -176.44 2.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.036 1.334 . . . . 0.0 112.411 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -124.16 -75.75 0.59 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 111.83 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -147.8 -35.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.284 1.034 . . . . 0.0 112.285 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -61.25 108.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 111.838 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.54 176.71 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.275 1.83 . . . . 0.0 112.178 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -117.5 179.48 4.04 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.261 2.224 . . . . 0.0 110.519 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -28.48 4.88 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.733 1.213 . . . . 0.0 113.764 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -52.29 -57.57 9.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.785 1.234 . . . . 0.0 113.026 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -42.31 98.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.012 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.787 HG11 ' HB3' ' A' ' 94' ' ' ALA . 48.3 t -55.35 -34.84 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.991 0.814 . . . . 0.0 111.179 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.72 -41.97 64.65 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.016 -1.677 . . . . 0.0 112.485 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -68.05 -52.61 33.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.77 0.828 . . . . 0.0 113.089 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 7.1 p -53.71 -39.47 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.557 1.143 . . . . 0.0 111.868 178.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -61.29 -34.92 76.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.785 0.72 . . . . 0.0 111.965 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 t -73.3 -33.29 65.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.707 1.203 . . . . 0.0 112.567 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.82 -51.53 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.348 1.059 . . . . 0.0 111.332 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -82.39 -11.27 58.66 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.12 -21.57 47.1 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.479 1.511 . . . . 0.0 114.375 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -86.5 121.76 29.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.723 1.209 . . . . 0.0 111.764 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -0.19 55.83 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.504 1.522 . . . . 0.0 113.518 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.14 6.32 19.63 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.027 1.731 . . . . 0.0 113.935 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -88.93 -8.18 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 127.022 2.129 . . . . 0.0 113.342 -177.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.2 p -51.11 116.37 1.98 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.036 1.734 . . . . 0.0 113.257 -170.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.43 129.14 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.709 0.804 . . . . 0.0 109.793 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 135.4 53.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 111.828 175.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.4 m -51.68 -25.79 7.91 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.106 1.362 . . . . 0.0 114.521 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 m -68.02 -61.61 1.78 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.148 1.379 . . . . 0.0 111.367 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -70.74 -21.59 62.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 0.0 112.368 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -50.95 -42.46 59.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.705 1.202 . . . . 0.0 113.512 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -53.38 -32.72 50.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.005 0.922 . . . . 0.0 112.64 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -86.65 -42.68 13.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.21 1.804 . . . . 0.0 111.67 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.68 59.7 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.49 1.116 . . . . 0.0 112.376 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.83 -42.49 65.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.102 0.961 . . . . 0.0 111.194 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -65.32 -55.91 15.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.477 1.511 . . . . 0.0 112.652 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.35 -49.83 71.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.201 0.601 . . . . 0.0 110.97 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.518 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.2 m-30 -62.12 -34.15 75.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -29.36 66.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.723 1.147 . . . . 0.0 112.072 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.24 -39.38 40.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.514 1.126 . . . . 0.0 111.012 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -16.73 4.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 59' ' ' VAL . 3.9 mm -77.08 -20.24 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.321 1.048 . . . . 0.0 112.7 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -116.73 -29.87 5.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.771 1.628 . . . . 0.0 114.112 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -116.27 -22.86 8.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.752 1.221 . . . . 0.0 113.026 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 133.59 23.01 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 124.34 0.972 . . . . 0.0 111.26 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -70.29 176.25 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.622 -0.789 . . . . 0.0 111.623 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.31 -51.93 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 127.307 2.243 . . . . 0.0 112.007 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.17 -30.88 66.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.009 0.924 . . . . 0.0 111.8 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -80.16 -48.35 13.3 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.32 1.048 . . . . 0.0 113.014 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -50.66 -50.6 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 121.356 1.889 . . . . 0.0 111.769 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.9 85.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.01 -38.0 78.23 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.373 -0.823 . . . . 0.0 111.584 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' HB3' ' A' ' 44' ' ' TYR . 78.8 t -59.14 -68.11 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.476 1.489 . . . . 0.0 110.655 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.43 -32.14 62.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -175.118 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.4 -51.95 66.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.847 1.659 . . . . 0.0 110.464 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.77 -53.83 53.32 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.674 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.01 -42.33 62.92 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.183 0.901 . . . . 0.0 112.559 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.532 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.5 m-85 -62.38 -48.74 78.42 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.039 -1.038 . . . . 0.0 112.669 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 30' ' ' ILE . 34.4 mt -69.78 -21.71 63.39 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.63 -47.64 79.26 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.528 1.058 . . . . 0.0 112.172 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.74 24.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.364 1.065 . . . . 0.0 112.915 175.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.62 15.16 68.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.895 1.236 . . . . 0.0 113.804 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.53 175.89 13.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.956 1.702 . . . . 0.0 111.596 -172.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.59 -26.95 61.89 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 114.41 175.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 67.73 4.34 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.482 1.913 . . . . 0.0 110.963 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.59 142.7 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.736 1.215 . . . . 0.0 111.228 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -60.45 155.93 17.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.347 0.659 . . . . 0.0 111.465 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.36 -47.18 56.22 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.395 0.998 . . . . 0.0 112.423 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.78 17.15 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.73 -0.483 . . . . 0.0 112.09 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -57.31 -36.47 71.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.464 1.132 . . . . 0.0 113.039 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -60.21 -28.26 67.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.191 1.396 . . . . 0.0 112.943 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.05 -55.27 26.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.192 1.397 . . . . 0.0 111.693 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -70.54 -38.13 74.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 119.278 -0.392 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 64' ' ' TYR . 3.4 tp -54.45 -54.11 45.18 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.598 0.759 . . . . 0.0 111.282 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.72 -36.41 57.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.93 1.292 . . . . 0.0 112.798 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -73.29 -50.59 21.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.052 0.541 . . . . 0.0 111.129 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.63 70.82 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.549 1.139 . . . . 0.0 113.527 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -51.02 71.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.934 2.093 . . . . 0.0 110.901 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -59.7 -23.31 63.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.533 1.133 . . . . 0.0 112.697 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.8 mt -92.35 -36.27 13.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.16 1.384 . . . . 0.0 113.009 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 106' ' ' LEU . 14.0 tp -51.39 -56.3 13.92 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.597 1.559 . . . . 0.0 110.485 175.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.401 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -71.3 -19.17 20.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 120.184 -0.607 . . . . 0.0 112.578 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -61.82 -55.91 24.92 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.572 1.549 . . . . 0.0 112.283 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -66.22 -48.34 70.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.117 1.367 . . . . 0.0 111.831 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 21' ' ' VAL . 88.7 mt -68.3 -15.52 63.6 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.616 1.166 . . . . 0.0 113.932 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 32.6 t -51.39 -28.71 13.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.209 1.804 . . . . 0.0 113.199 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -69.92 0.13 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.221 1.408 . . . . 0.0 113.337 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.787 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.01 -20.18 63.28 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -54.06 -54.75 34.99 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.405 1.482 . . . . 0.0 111.437 175.033 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.2 t70 50.5 30.23 4.55 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.668 1.587 . . . . 0.0 114.619 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -156.16 -168.38 2.73 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.859 2.063 . . . . 0.0 112.742 -171.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -65.03 148.76 51.06 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.081 1.352 . . . . 0.0 111.152 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.88 -27.56 7.73 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -52.98 -23.74 7.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.503 1.521 . . . . 0.0 112.651 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.3 -59.42 5.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.725 1.148 . . . . 0.0 108.955 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.22 -41.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.746 1.218 . . . . 0.0 111.759 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 88' ' ' ILE . 12.8 mt-10 -58.36 -46.25 86.64 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.665 0.786 . . . . 0.0 111.228 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 t -74.84 -29.97 61.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.189 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -24.65 11.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.664 1.575 . . . . 0.0 112.806 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 87' ' ' LEU . 69.5 mt -55.97 -40.15 72.83 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.112 -0.992 . . . . 0.0 112.047 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -22.94 66.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.3 -18.15 23.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.176 2.59 . . . . 0.0 113.056 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 25' ' ' LEU . 28.3 mt -96.41 -67.67 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 125.295 1.438 . . . . 0.0 109.688 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.8 m-85 -77.2 -12.12 59.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.638 1.175 . . . . 0.0 113.423 -174.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 57.48 66.9 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.033 2.133 . . . . 0.0 112.911 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.37 -52.84 6.19 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.368 1.067 . . . . 0.0 112.225 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.304 0 C-N-CA 127.483 2.313 . . . . 0.0 114.736 -177.045 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -115.11 25.29 11.0 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.92 1.688 . . . . 0.0 113.826 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -120.21 -50.55 2.24 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.213 1.805 . . . . 0.0 112.54 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.47 179.24 4.13 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.356 1.462 . . . . 0.0 112.293 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.18 174.58 50.49 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.834 1.207 . . . . 0.0 112.988 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 m -82.32 172.63 12.88 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.537 HG12 HD23 ' A' ' 9' ' ' LEU . 1.5 t -65.68 142.49 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.937 0.895 . . . . 0.0 110.34 176.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.66 57.8 4.49 Favored Glycine 0 N--CA 1.476 1.352 0 C-N-CA 124.979 1.276 . . . . 0.0 114.156 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD23 HG12 ' A' ' 7' ' ' VAL . 3.9 mm? -117.42 -179.3 3.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.319 2.247 . . . . 0.0 111.217 -175.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -135.82 -85.62 0.37 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.151 1.38 . . . . 0.0 110.936 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -160.87 -48.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.922 1.689 . . . . 0.0 111.212 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -62.1 110.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.349 1.46 . . . . 0.0 112.736 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -146.23 175.81 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.455 1.902 . . . . 0.0 111.775 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -113.45 -179.26 3.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.344 1.858 . . . . 0.0 110.375 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.54 -29.42 6.87 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.333 1.453 . . . . 0.0 113.474 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -51.53 -61.4 2.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.806 1.642 . . . . 0.0 113.849 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.2 -41.01 83.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.417 174.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG13 HD22 ' A' ' 91' ' ' LEU . 45.6 t -54.18 -30.28 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 118.88 0.763 . . . . 0.0 111.36 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -50.4 15.28 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.123 -1.611 . . . . 0.0 111.719 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.85 -51.85 67.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.757 HG11 HD21 ' A' ' 91' ' ' LEU . 8.5 p -54.06 -40.8 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.031 0.832 . . . . 0.0 111.641 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -62.73 -28.99 70.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.783 0.72 . . . . 0.0 112.901 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 t -78.12 -30.97 49.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 0.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' VAL . 91.9 mt -64.0 -54.77 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.369 1.067 . . . . 0.0 111.005 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -56.32 -27.98 57.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.633 1.173 . . . . 0.0 114.093 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.81 140.59 42.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.577 1.151 . . . . 0.0 112.582 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 5.8 21.08 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.784 1.234 . . . . 0.0 113.853 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -97.18 3.84 51.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.74 2.016 . . . . 0.0 113.479 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -74.71 -7.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.681 1.592 . . . . 0.0 113.402 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -51.38 104.23 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.152 1.781 . . . . 0.0 112.706 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 40' ' ' ARG . 50.4 t -75.57 138.71 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 110.615 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.8 148.4 29.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.891 1.277 . . . . 0.0 113.244 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -35.88 78.92 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.819 1.648 . . . . 0.0 114.088 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.7 m -61.1 -43.4 98.93 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.612 1.165 . . . . 0.0 111.432 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.0 m -83.06 -24.44 32.75 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.126 0.97 . . . . 0.0 112.33 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.25 -43.67 64.47 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.698 1.199 . . . . 0.0 112.95 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.55 -43.05 56.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -80.59 -38.51 29.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.618 1.167 . . . . 0.0 111.524 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.721 ' HG3' HG11 ' A' ' 32' ' ' VAL . 6.0 mmt180 -55.19 -34.92 64.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.784 1.234 . . . . 0.0 112.515 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.1 -42.62 66.13 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.601 0.76 . . . . 0.0 110.815 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -65.3 -59.67 3.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.745 1.618 . . . . 0.0 112.377 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.55 -50.74 62.31 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.137 0.426 . . . . 0.0 111.713 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.68 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -60.13 -37.73 80.95 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.8 0.84 . . . . 0.0 112.446 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -31.81 69.69 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.77 1.168 . . . . 0.0 112.438 175.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -78.73 -37.6 40.95 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.083 -1.011 . . . . 0.0 111.44 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -55.29 -18.09 5.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 59' ' ' VAL . 4.5 mm -73.84 -19.09 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.459 1.103 . . . . 0.0 112.456 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -121.67 -34.99 3.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.894 2.077 . . . . 0.0 111.858 -174.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -112.77 -28.25 7.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.266 1.426 . . . . 0.0 112.339 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.43 148.07 46.57 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 124.938 1.256 . . . . 0.0 111.721 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -84.53 175.0 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.149 1.38 . . . . 0.0 112.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.2 p -48.81 -51.41 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.396 1.479 . . . . 0.0 113.353 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -61.11 -25.67 67.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.883 0.873 . . . . 0.0 112.507 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.3 mt-10 -83.6 -48.91 9.72 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.417 1.087 . . . . 0.0 112.893 174.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mm -48.18 -49.67 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.522 1.51 . . . . 0.0 111.695 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.22 90.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.101 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.39 -33.34 75.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.452 -1.405 . . . . 0.0 112.591 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 48' ' ' ILE . 79.1 t -61.06 -66.42 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 123.898 0.879 . . . . 0.0 109.999 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.48 -35.18 65.25 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -176.058 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -58.24 -47.86 82.22 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.689 1.996 . . . . 0.0 111.048 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -56.25 17.68 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.246 0.618 . . . . 0.0 110.272 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 76' ' ' GLU . 2.8 mp -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.532 0.733 . . . . 0.0 112.804 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.442 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -55.86 -50.54 70.33 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 175.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 30' ' ' ILE . 54.7 mt -72.6 -30.53 64.44 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.52 -33.87 71.92 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.557 1.143 . . . . 0.0 111.882 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -32.01 15.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.895 1.278 . . . . 0.0 113.436 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 16.98 78.02 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.317 0.961 . . . . 0.0 114.214 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -151.15 176.03 11.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.347 1.859 . . . . 0.0 111.892 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -77.17 -39.87 47.43 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.77 1.628 . . . . 0.0 113.919 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.67 71.39 7.56 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.156 1.782 . . . . 0.0 111.269 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -54.34 154.92 4.15 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -59.44 155.67 14.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.111 0.965 . . . . 0.0 111.27 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.54 -42.37 64.33 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.23 -52.75 21.15 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.143 0.878 . . . . 0.0 113.437 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' HD23 ' A' ' 63' ' ' LEU . 52.0 mt-10 -62.57 -40.04 95.59 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.933 -1.333 . . . . 0.0 112.063 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -54.31 -28.67 43.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.059 0.944 . . . . 0.0 113.274 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -57.66 11.73 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.812 1.245 . . . . 0.0 112.126 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttm -76.29 -39.36 54.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.57 0.748 . . . . 0.0 111.888 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 72' ' ' LEU . 5.0 tp -54.83 -45.87 74.52 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.473 175.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -52.03 -39.22 59.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.135 . . . . 0.0 112.765 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -74.53 -48.64 25.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.317 0.647 . . . . 0.0 111.21 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.34 -31.43 69.18 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.182 -0.949 . . . . 0.0 112.734 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -63.26 -53.71 48.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.902 2.081 . . . . 0.0 111.374 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 p -61.24 -21.97 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.55 -34.46 14.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.794 2.038 . . . . 0.0 113.406 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -53.0 -58.65 6.25 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.176 1.39 . . . . 0.0 110.009 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -18.72 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.415 -0.803 . . . . 0.0 112.758 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -53.43 46.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.649 1.579 . . . . 0.0 112.551 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' CG ' HG23 ' A' ' 53' ' ' VAL . 1.8 pt-20 -70.31 -46.25 64.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.737 1.215 . . . . 0.0 111.564 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 21' ' ' VAL . 91.9 mt -67.8 -18.42 64.85 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.429 1.091 . . . . 0.0 113.593 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.9 t -44.13 -36.04 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 128.103 2.561 . . . . 0.0 113.338 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -64.92 0.68 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.143 1.377 . . . . 0.0 112.029 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.83 -23.1 60.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.44 -45.08 46.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.59 1.156 . . . . 0.0 111.5 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 46.23 30.95 1.09 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.636 1.974 . . . . 0.0 113.984 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.41 -167.04 1.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.156 2.182 . . . . 0.0 111.468 -167.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 157.66 25.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.378 1.071 . . . . 0.0 111.152 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -54.67 -27.82 42.9 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.419 -0.801 . . . . 0.0 112.792 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -26.96 12.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.826 1.651 . . . . 0.0 111.982 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -59.78 4.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.464 1.483 . . . . 0.0 109.434 175.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.28 -40.58 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 O-C-N 121.697 -0.627 . . . . 0.0 112.046 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.72 -47.8 81.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.547 0.739 . . . . 0.0 111.718 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -74.77 -31.67 61.83 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.113 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -54.71 -23.56 18.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.597 1.544 . . . . 0.0 112.837 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 87' ' ' LEU . 82.2 mt -55.98 -35.68 67.02 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.854 0.862 . . . . 0.0 112.077 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -63.28 -23.86 67.61 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.863 0.865 . . . . 0.0 112.726 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -93.86 -17.41 23.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.039 2.136 . . . . 0.0 113.276 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.501 HG21 HD13 ' A' ' 25' ' ' LEU . 68.2 mt -91.91 -67.99 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.807 1.643 . . . . 0.0 109.941 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.4 m-85 -81.37 -10.82 59.46 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.565 1.146 . . . . 0.0 112.521 -175.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.7 t30 59.76 70.59 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.05 2.54 . . . . 0.0 113.601 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.97 -23.92 16.06 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.306 1.042 . . . . 0.0 113.709 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.976 1.71 . . . . 0.0 112.494 175.548 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -143.09 168.67 19.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.847 1.659 . . . . 0.0 111.611 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 165.68 10.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.067 1.347 . . . . 0.0 112.167 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.5 ptp -146.34 160.94 41.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.499 1.919 . . . . 0.0 111.56 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.22 10.53 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.701 1.619 . . . . 0.0 114.547 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -137.93 170.96 15.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.897 2.479 . . . . 0.0 111.2 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.71 -28.78 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.347 1.459 . . . . 0.0 113.898 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.83 -35.26 2.42 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.25 1.881 . . . . 0.0 113.855 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -172.07 3.83 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.643 1.577 . . . . 0.0 111.528 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.45 -84.15 0.65 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.923 1.689 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.15 -30.6 0.38 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.816 1.246 . . . . 0.0 112.67 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.35 110.42 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.168 1.387 . . . . 0.0 112.05 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.19 174.25 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.655 1.982 . . . . 0.0 112.215 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.7 p -113.82 177.83 4.5 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.607 1.963 . . . . 0.0 110.719 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.22 -28.58 4.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.031 1.332 . . . . 0.0 113.863 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -55.49 -56.18 23.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.541 1.064 . . . . 0.0 112.895 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.06 -42.75 86.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.7 175.076 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 91' ' ' LEU . 38.4 t -55.37 -31.67 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 0.585 . . . . 0.0 110.754 -177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.01 -48.85 22.04 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.46 -1.4 . . . . 0.0 111.515 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.23 -52.85 63.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.433 1.093 . . . . 0.0 111.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 91' ' ' LEU . 11.4 p -54.43 -45.2 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 0.0 111.222 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.02 -41.55 88.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.745 0.702 . . . . 0.0 109.89 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.21 -32.5 71.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.635 1.174 . . . . 0.0 113.555 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.48 -51.3 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.048 0.939 . . . . 0.0 110.773 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.742 HD12 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -78.29 -16.91 57.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.163 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -54.6 -27.55 40.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.186 1.394 . . . . 0.0 114.113 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -76.53 139.21 40.66 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.805 1.242 . . . . 0.0 112.945 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 -14.33 18.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.817 1.247 . . . . 0.0 114.324 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -79.14 -2.34 40.3 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.13 1.372 . . . . 0.0 113.734 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.75 -15.47 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.462 1.505 . . . . 0.0 114.194 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 t -39.06 105.22 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.617 2.367 . . . . 0.0 113.605 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.04 137.24 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.458 1.503 . . . . 0.0 111.522 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.0 148.27 50.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.296 1.038 . . . . 0.0 112.608 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.36 -45.79 91.56 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.333 1.053 . . . . 0.0 113.559 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.9 m -58.34 -45.56 87.91 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.209 -0.932 . . . . 0.0 111.01 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -70.66 -32.16 69.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.16 1.384 . . . . 0.0 112.585 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -54.46 -48.65 71.51 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.98 1.312 . . . . 0.0 111.982 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -52.96 -30.23 33.57 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.029 0.932 . . . . 0.0 113.057 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.17 -50.91 7.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.483 1.913 . . . . 0.0 111.241 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.54 54.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.432 1.493 . . . . 0.0 112.908 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.75 -42.88 62.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.241 1.416 . . . . 0.0 111.552 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -64.85 -58.0 7.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.444 1.498 . . . . 0.0 112.295 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -56.98 -47.13 81.51 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.605 0.362 . . . . 0.0 111.185 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.52 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -57.16 -45.26 83.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 117.881 -1.056 . . . . 0.0 111.987 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.39 66.03 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.727 1.149 . . . . 0.0 112.386 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -37.0 30.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.363 1.465 . . . . 0.0 112.209 175.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.18 -18.32 25.02 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.686 -1.259 . . . . 0.0 112.981 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 HG11 ' A' ' 59' ' ' VAL . 6.8 mm -70.29 -24.54 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.56 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -120.37 -23.58 6.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.762 1.225 . . . . 0.0 113.776 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 p -113.71 -28.46 7.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.735 1.214 . . . . 0.0 113.024 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.47 145.09 30.03 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 124.842 1.21 . . . . 0.0 110.452 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -83.2 179.87 7.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.097 -1.051 . . . . 0.0 112.922 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.58 -52.08 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.321 1.848 . . . . 0.0 113.449 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -59.58 -32.31 70.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.147 1.379 . . . . 0.0 112.352 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.0 mt-10 -82.1 -49.18 10.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.518 1.527 . . . . 0.0 111.657 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -49.43 -49.94 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.667 1.587 . . . . 0.0 111.172 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.064 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.1 -35.95 69.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.913 -1.117 . . . . 0.0 111.239 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.594 HG11 HD11 ' A' ' 48' ' ' ILE . 88.7 t -61.22 -61.49 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.611 1.164 . . . . 0.0 111.073 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.13 -30.44 69.29 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -61.17 -56.15 24.02 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.646 1.578 . . . . 0.0 111.751 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.88 -45.8 82.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.11 0.413 . . . . 0.0 110.732 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.48 -45.91 76.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.262 1.025 . . . . 0.0 111.773 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.7 m-85 -62.95 -49.85 73.11 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.1 -26.18 66.57 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.821 -0.549 . . . . 0.0 112.295 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.12 -37.52 74.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.889 1.276 . . . . 0.0 110.534 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.59 -31.47 18.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.221 0.609 . . . . 0.0 112.421 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.08 17.07 69.47 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.408 1.004 . . . . 0.0 114.517 -173.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.1 164.8 36.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 112.451 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -64.4 -37.7 88.44 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.844 1.658 . . . . 0.0 114.053 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 84.19 7.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.721 1.608 . . . . 0.0 110.279 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -64.17 155.86 30.35 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 176.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.78 149.13 50.65 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.756 0.822 . . . . 0.0 110.22 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -52.41 -42.03 63.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.915 0.779 . . . . 0.0 112.875 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.72 48.82 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.058 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -64.69 -41.18 96.23 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.211 -1.17 . . . . 0.0 111.498 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -54.52 -30.99 55.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.067 1.747 . . . . 0.0 112.766 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -56.26 24.24 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.153 1.381 . . . . 0.0 112.018 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -74.74 -35.99 62.62 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.591 0.357 . . . . 0.0 111.636 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 72' ' ' LEU . 9.1 tp -54.53 -48.64 71.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.338 0.655 . . . . 0.0 111.574 175.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -51.71 -38.03 53.41 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.42 1.088 . . . . 0.0 112.914 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -43.89 37.78 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.103 0.961 . . . . 0.0 112.184 176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.14 71.75 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.858 -1.151 . . . . 0.0 112.984 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -60.94 -51.3 69.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.267 2.227 . . . . 0.0 111.01 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 p -63.98 -20.25 65.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD23 ' HD2' ' A' ' 89' ' ' LYS . 52.0 mt -91.78 -38.06 12.6 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.159 1.384 . . . . 0.0 112.745 175.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 106' ' ' LEU . 20.1 tp -47.03 -61.05 2.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.006 1.323 . . . . 0.0 110.799 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.415 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.75 -14.63 18.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 86' ' ' LEU . 11.4 ttmm -70.31 -42.27 72.2 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.364 1.866 . . . . 0.0 113.001 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.55 -48.77 11.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.718 0.771 . . . . 0.0 109.83 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 21' ' ' VAL . 58.0 mt -62.48 -14.18 38.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.2 1.8 . . . . 0.0 112.433 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 p -50.26 -28.76 8.24 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.561 1.944 . . . . 0.0 114.135 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -62.24 1.85 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.496 1.118 . . . . 0.0 111.655 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.607 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.64 -9.9 59.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 97' ' ' CYS . 7.7 ptmt -49.29 -39.81 32.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.481 1.112 . . . . 0.0 112.539 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 t70 45.38 24.55 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 129.208 3.003 . . . . 0.0 115.187 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 95' ' ' LYS . 1.3 t -166.0 -164.96 0.75 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.661 2.384 . . . . 0.0 111.551 -165.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.55 165.99 21.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.885 1.274 . . . . 0.0 112.037 175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.3 -30.54 62.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.593 -1.317 . . . . 0.0 111.976 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -24.64 7.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.855 1.662 . . . . 0.0 113.05 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -59.47 5.39 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.245 1.839 . . . . 0.0 109.611 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 mt -76.73 -41.29 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.549 0.74 . . . . 0.0 110.519 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' HG21 ' A' ' 88' ' ' ILE . 52.4 mt-10 -58.27 -50.95 71.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.275 1.03 . . . . 0.0 111.899 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -73.56 -32.5 64.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.096 -1.43 . . . . 0.0 112.888 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.63 -26.3 21.56 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.196 1.817 . . . . 0.0 112.085 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 87' ' ' LEU . 76.7 mt -52.7 -36.56 57.53 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.292 0.637 . . . . 0.0 112.316 175.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 112.552 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -35.7 67.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 112.136 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.742 HG21 HD12 ' A' ' 25' ' ' LEU . 16.2 mt -77.11 -62.7 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.263 1.025 . . . . 0.0 111.194 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -81.22 0.21 37.68 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.542 1.537 . . . . 0.0 113.459 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 56.26 55.64 6.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 128.074 2.55 . . . . 0.0 113.231 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.78 -39.37 11.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.392 1.477 . . . . 0.0 112.715 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.403 2.281 . . . . 0.0 112.379 -175.795 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.096 -0.401 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.91 158.96 15.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.915 1.686 . . . . 0.0 112.428 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.95 137.9 13.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.174 1.79 . . . . 0.0 111.311 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.3 mtm -88.81 90.79 8.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.234 1.414 . . . . 0.0 110.798 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.66 -90.69 0.12 Allowed Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.81 1.195 . . . . 0.0 112.183 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 164.97 25.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.958 1.303 . . . . 0.0 111.789 177.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG12 HD23 ' A' ' 9' ' ' LEU . 4.1 t -66.28 -24.79 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.282 -0.886 . . . . 0.0 111.824 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.65 32.78 26.49 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.7 1.143 . . . . 0.0 113.796 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.55 HD23 HG12 ' A' ' 7' ' ' VAL . 4.0 mm? -112.48 174.92 5.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.193 2.197 . . . . 0.0 111.159 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -130.99 -87.31 0.49 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.679 1.592 . . . . 0.0 110.907 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.45 -50.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.71 1.604 . . . . 0.0 111.72 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tp -60.74 109.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.615 1.566 . . . . 0.0 112.617 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.94 176.54 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.674 1.99 . . . . 0.0 111.622 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.5 p -114.34 -177.61 3.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.279 2.232 . . . . 0.0 110.99 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -27.1 5.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.303 1.041 . . . . 0.0 113.799 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -50.98 -61.3 2.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.708 1.603 . . . . 0.0 112.979 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -41.05 96.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 117.55 -1.214 . . . . 0.0 109.965 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 91' ' ' LEU . 45.9 t -56.25 -35.62 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 119.527 1.058 . . . . 0.0 111.681 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -74.88 -35.0 62.31 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 119.894 -1.754 . . . . 0.0 113.088 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.34 -51.28 25.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.539 1.135 . . . . 0.0 112.712 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -56.48 -44.09 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.256 1.422 . . . . 0.0 112.212 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 109' ' ' ILE . 6.8 m-85 -56.45 -35.67 68.15 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.964 0.802 . . . . 0.0 111.682 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -67.14 -28.82 68.44 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.361 1.464 . . . . 0.0 113.56 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.12 -48.78 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.524 1.13 . . . . 0.0 110.747 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.76 -11.96 57.89 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.662 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -56.46 -26.75 54.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.966 1.307 . . . . 0.0 114.141 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.29 124.69 30.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 112.368 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -86.65 -8.08 57.77 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -80.56 6.94 11.11 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.119 1.368 . . . . 0.0 113.854 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.597 HD11 HD13 ' A' ' 65' ' ' LEU . 2.4 pp -83.78 -12.06 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 126.84 2.056 . . . . 0.0 113.536 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 p -43.34 114.28 0.61 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.7 2.4 . . . . 0.0 113.977 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -78.59 132.8 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.035 0.934 . . . . 0.0 110.534 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.84 145.97 38.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.477 . . . . 0.0 112.84 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -61.15 -42.41 98.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.18 -46.19 90.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.576 1.15 . . . . 0.0 111.504 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 40' ' ' ARG . 57.8 m -73.4 -25.09 60.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.028 1.731 . . . . 0.0 112.78 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.82 -45.12 95.19 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.532 1.533 . . . . 0.0 112.852 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -51.7 -31.03 24.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.656 0.782 . . . . 0.0 111.998 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -44.37 11.68 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.606 1.962 . . . . 0.0 112.379 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -56.44 -32.49 64.96 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.188 0.995 . . . . 0.0 112.042 176.112 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.04 -41.44 62.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.274 1.03 . . . . 0.0 111.052 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -63.83 -61.3 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.42 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.34 -47.51 72.47 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.264 0.483 . . . . 0.0 111.461 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.633 ' HB3' HG13 ' A' ' 59' ' ' VAL . 16.6 m-30 -61.76 -37.75 85.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.804 0.841 . . . . 0.0 113.132 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.6 mtt -58.06 -33.87 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.795 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.99 -38.9 61.52 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.384 -0.822 . . . . 0.0 111.207 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -18.34 9.4 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 59' ' ' VAL . 4.8 mm -73.28 -18.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.173 0.989 . . . . 0.0 112.588 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -122.27 -34.65 3.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.669 1.988 . . . . 0.0 112.138 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 p -113.02 -26.21 8.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.166 1.386 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.34 144.43 39.12 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 124.894 1.235 . . . . 0.0 111.84 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.81 175.87 9.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.251 1.02 . . . . 0.0 112.922 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -51.75 -48.64 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.172 1.389 . . . . 0.0 112.095 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.64 -26.57 68.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.705 0.802 . . . . 0.0 112.05 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.3 -45.49 13.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.589 1.156 . . . . 0.0 112.678 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mm -51.98 -49.46 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.611 1.551 . . . . 0.0 111.127 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.18 -36.63 78.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.45 -42.09 83.65 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.422 -0.799 . . . . 0.0 111.574 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 48' ' ' ILE . 69.6 t -57.01 -65.04 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.981 0.912 . . . . 0.0 110.953 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.9 -34.2 65.35 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.8 -57.12 14.27 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.745 1.618 . . . . 0.0 109.614 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.45 -53.8 20.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.192 -0.433 . . . . 0.0 111.181 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.47 -44.75 62.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.102 0.961 . . . . 0.0 112.738 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -60.81 -50.63 72.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.175 0.898 . . . . 0.0 113.407 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 30' ' ' ILE . 4.3 mp -69.67 -19.77 63.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.72 -47.55 73.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.283 0.947 . . . . 0.0 112.393 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -85.88 -27.08 25.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.402 1.081 . . . . 0.0 111.822 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.66 15.75 80.51 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.72 1.152 . . . . 0.0 113.895 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.67 165.32 29.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.921 1.688 . . . . 0.0 111.168 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -66.49 -31.21 71.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.155 0.982 . . . . 0.0 113.417 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -85.74 81.61 8.53 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.512 1.525 . . . . 0.0 110.92 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.59 153.08 43.98 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.93 0.892 . . . . 0.0 112.517 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -66.36 152.88 44.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.692 0.397 . . . . 0.0 110.259 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.31 -39.3 60.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.61 0.764 . . . . 0.0 112.308 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 -52.61 52.03 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.243 -0.754 . . . . 0.0 113.075 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.73 -39.24 90.95 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.549 1.674 . . . . 0.0 112.205 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.33 -32.89 62.88 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.525 1.13 . . . . 0.0 112.866 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -52.98 -59.8 4.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.284 1.434 . . . . 0.0 112.651 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.39 -38.27 55.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.108 0.563 . . . . 0.0 111.982 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 64' ' ' TYR . 2.7 tp -54.93 -50.5 68.7 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 123.555 0.742 . . . . 0.0 111.354 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -50.45 -37.56 38.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.614 1.166 . . . . 0.0 112.639 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -71.14 -54.36 11.31 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.28 1.032 . . . . 0.0 110.881 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -34.0 71.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.405 1.082 . . . . 0.0 113.263 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -50.25 74.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.776 2.03 . . . . 0.0 110.958 175.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -22.07 64.85 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.708 0.803 . . . . 0.0 112.943 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -92.24 -35.71 13.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.324 1.85 . . . . 0.0 112.901 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 106' ' ' LEU . 15.5 tp -52.11 -57.27 10.09 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.717 1.607 . . . . 0.0 110.813 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -19.55 22.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -66.55 -49.06 67.7 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.157 1.783 . . . . 0.0 112.556 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.41 -46.78 37.99 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.988 1.315 . . . . 0.0 111.304 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 18' ' ' VAL . 80.4 mt -67.84 -16.12 63.95 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.759 1.223 . . . . 0.0 113.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.475 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 17.6 t -48.79 -32.14 8.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.376 2.271 . . . . 0.0 113.061 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -65.78 0.56 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.912 1.285 . . . . 0.0 112.516 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.729 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.34 -22.63 62.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -54.37 -54.78 35.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.466 1.506 . . . . 0.0 111.47 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 48.24 31.75 2.78 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.973 1.709 . . . . 0.0 114.732 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 -168.93 2.95 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.211 2.205 . . . . 0.0 111.844 -171.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 p -62.08 147.92 45.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.072 1.749 . . . . 0.0 111.38 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.34 -28.15 7.45 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 119.709 1.14 . . . . 0.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.35 -23.87 6.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.142 1.777 . . . . 0.0 112.437 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -59.73 4.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 120.239 1.381 . . . . 0.0 109.103 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.84 -39.54 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.317 1.047 . . . . 0.0 111.23 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.47 -46.72 89.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.876 0.87 . . . . 0.0 111.71 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -74.78 -29.46 61.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.3 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -26.94 13.64 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.22 1.373 . . . . 0.0 112.77 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 87' ' ' LEU . 72.7 mt -54.02 -38.56 65.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.418 1.087 . . . . 0.0 112.526 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -64.46 -24.43 67.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.482 1.113 . . . . 0.0 113.584 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -93.75 -15.59 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.552 2.341 . . . . 0.0 112.968 175.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 25' ' ' LEU . 13.7 mt -95.43 -67.51 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 124.66 1.184 . . . . 0.0 111.069 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.673 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -76.86 -12.45 59.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.444 1.098 . . . . 0.0 112.87 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 60.36 69.84 0.66 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.788 2.435 . . . . 0.0 113.385 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -60.81 1.85 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.186 0.994 . . . . 0.0 112.883 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.651 2.38 . . . . 0.0 115.729 179.642 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.401 -0.279 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 t -159.12 99.39 1.5 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.837 1.655 . . . . 0.0 110.771 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.13 164.42 30.64 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.08 1.752 . . . . 0.0 111.575 175.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.2 tpt -143.08 108.91 5.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.793 1.637 . . . . 0.0 110.372 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.75 -83.73 0.17 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.074 1.321 . . . . 0.0 112.617 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -144.69 179.26 7.41 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.039 1.735 . . . . 0.0 111.637 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.64 -30.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.503 -0.748 . . . . 0.0 112.98 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.75 -8.62 9.31 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.474 1.512 . . . . 0.0 115.287 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.61 -177.84 3.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.607 1.963 . . . . 0.0 111.825 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.77 -78.68 0.58 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.56 1.544 . . . . 0.0 110.348 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -151.79 -32.82 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.364 1.066 . . . . 0.0 112.638 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tp -59.1 109.89 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.505 1.522 . . . . 0.0 112.838 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.88 177.63 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.681 1.992 . . . . 0.0 112.364 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.6 p -117.47 -179.87 3.85 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.337 1.855 . . . . 0.0 110.739 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -26.4 7.09 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.493 1.117 . . . . 0.0 113.764 175.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.71 -55.91 26.62 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.989 -1.069 . . . . 0.0 112.818 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -43.0 93.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 117.705 -1.14 . . . . 0.0 109.719 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.2 t -54.66 -44.36 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.183 0.901 . . . . 0.0 110.692 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -69.08 -32.43 71.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.745 -1.222 . . . . 0.0 113.68 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -73.46 -55.28 6.56 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.222 1.009 . . . . 0.0 112.577 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 91' ' ' LEU . 9.9 p -54.43 -38.72 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.893 1.277 . . . . 0.0 111.639 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -79.99 -25.27 40.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.132 1.373 . . . . 0.0 112.813 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.39 -54.3 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.451 1.1 . . . . 0.0 110.698 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -80.67 -11.2 59.67 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.299 1.04 . . . . 0.0 113.686 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.36 126.18 30.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.996 1.319 . . . . 0.0 111.394 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.44 -2.59 56.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.56 12.34 1.66 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.996 1.719 . . . . 0.0 114.447 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.405 HD11 HD13 ' A' ' 65' ' ' LEU . 2.7 pp -99.14 0.7 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.844 2.458 . . . . 0.0 113.716 -175.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -45.4 104.27 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.656 1.983 . . . . 0.0 112.621 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.46 136.67 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.35 138.75 58.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.387 0.675 . . . . 0.0 111.19 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -60.58 -33.28 72.49 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -70.16 -44.28 69.14 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.436 -0.79 . . . . 0.0 110.699 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -73.94 -23.71 59.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.442 1.097 . . . . 0.0 113.077 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -52.61 -45.44 66.57 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.512 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.02 -31.56 51.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.56 -43.77 13.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.678 1.591 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -36.63 59.82 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.104 0.962 . . . . 0.0 112.515 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -51.58 -41.87 61.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.985 0.914 . . . . 0.0 111.253 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -62.51 -64.45 0.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.715 1.206 . . . . 0.0 112.33 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.13 -45.31 71.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.157 0.583 . . . . 0.0 111.464 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.4 m-30 -59.56 -42.0 91.44 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.138 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.72 65.22 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.496 1.044 . . . . 0.0 112.165 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -81.39 -36.75 29.18 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.918 0.887 . . . . 0.0 112.114 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -22.85 14.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 174.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 59' ' ' VAL . 3.8 mm -70.55 -16.74 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.136 1.374 . . . . 0.0 112.76 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -29.15 4.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.825 1.25 . . . . 0.0 112.662 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -116.99 -26.5 6.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.675 1.19 . . . . 0.0 112.782 -173.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.94 143.05 37.39 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 125.549 1.547 . . . . 0.0 111.404 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.96 171.87 12.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 124.113 0.965 . . . . 0.0 112.603 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.416 HG11 HG21 ' A' ' 13' ' ' ILE . 2.2 p -48.97 -47.54 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -62.64 -35.82 80.84 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.52 1.128 . . . . 0.0 110.429 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 59' ' ' VAL . 38.6 mt-10 -72.93 -48.18 39.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.942 1.297 . . . . 0.0 112.605 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.6 mm -50.42 -51.91 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 120.686 1.584 . . . . 0.0 112.522 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -45.26 79.25 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.01 -37.53 85.25 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.416 -0.803 . . . . 0.0 113.043 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 48' ' ' ILE . 97.4 t -61.29 -60.45 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.913 -1.117 . . . . 0.0 111.386 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -31.66 71.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' HB3' ' A' ' 25' ' ' LEU . 18.6 ttp180 -58.74 -57.07 14.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.894 1.278 . . . . 0.0 109.686 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.22 -45.14 80.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.885 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.91 -39.31 68.65 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.628 1.171 . . . . 0.0 112.577 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CE2' HD11 ' A' ' 80' ' ' LEU . 5.4 m-85 -70.58 -50.24 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.057 0.844 . . . . 0.0 113.095 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 30' ' ' ILE . 5.6 mp -67.94 -20.96 65.12 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.263 -0.898 . . . . 0.0 113.001 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -47.13 80.96 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.095 1.758 . . . . 0.0 113.216 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -29.33 51.14 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 111.352 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.84 8.53 87.38 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.92 1.724 . . . . 0.0 114.074 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -156.66 168.98 25.76 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.589 1.556 . . . . 0.0 111.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -15.19 62.55 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.28 56.94 2.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 111.406 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 80' ' ' LEU . 25.2 mt -60.19 154.72 19.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.638 1.175 . . . . 0.0 112.557 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -83.04 164.68 20.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.059 0.944 . . . . 0.0 110.954 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -52.84 -40.1 63.07 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.193 0.997 . . . . 0.0 112.254 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.48 -52.61 51.53 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.534 1.064 . . . . 0.0 113.569 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -41.39 81.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.192 1.496 . . . . 0.0 111.832 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -38.15 61.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.219 1.007 . . . . 0.0 112.63 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -59.49 3.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.003 1.321 . . . . 0.0 112.961 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.8 ttm -76.47 -37.35 57.01 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.752 HD22 HD12 ' A' ' 72' ' ' LEU . 3.9 tp -53.09 -51.42 61.91 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.739 0.816 . . . . 0.0 111.348 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -51.44 -35.88 41.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.916 1.286 . . . . 0.0 112.864 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -49.85 20.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.351 1.061 . . . . 0.0 111.635 175.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.27 73.45 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -51.7 68.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.55 2.34 . . . . 0.0 110.999 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -58.18 -25.06 61.09 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.54 1.136 . . . . 0.0 112.62 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.416 HD23 ' HD2' ' A' ' 89' ' ' LYS . 65.8 mt -92.46 -38.08 12.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.557 1.143 . . . . 0.0 112.972 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -47.46 -57.41 5.38 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.07 1.348 . . . . 0.0 110.152 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -18.37 20.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HD2' HD23 ' A' ' 86' ' ' LEU . 10.8 ttmt -64.59 -43.02 95.15 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.868 1.667 . . . . 0.0 113.146 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -81.33 -48.97 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.01 0.909 . . . . 0.0 108.915 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.671 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -61.7 -19.98 62.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.115 1.766 . . . . 0.0 114.058 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -49.11 -26.34 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.359 2.263 . . . . 0.0 113.987 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -70.13 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.964 1.306 . . . . 0.0 111.545 175.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.779 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.81 -18.2 61.49 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -46.72 55.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.925 1.29 . . . . 0.0 111.546 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.0 t70 47.05 30.31 1.27 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.769 2.028 . . . . 0.0 114.262 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -159.73 -164.24 1.3 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.689 1.996 . . . . 0.0 112.391 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.75 163.19 26.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.583 1.153 . . . . 0.0 112.076 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -55.87 -27.75 53.29 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.811 -1.181 . . . . 0.0 113.07 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.56 -26.22 12.71 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.896 1.678 . . . . 0.0 112.731 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.12 -55.29 34.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.913 1.233 . . . . 0.0 110.939 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -81.3 -43.43 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.964 1.305 . . . . 0.0 112.031 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -58.17 -47.43 83.42 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.799 0.727 . . . . 0.0 111.583 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -74.79 -19.77 60.07 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.933 0.893 . . . . 0.0 112.672 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.75 -21.51 64.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 119.739 -1.85 . . . . 0.0 111.114 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 87' ' ' LEU . 88.9 mt -58.05 -40.56 81.24 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 120.905 -1.122 . . . . 0.0 112.979 178.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -20.75 66.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -89.72 -28.95 19.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.616 2.367 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 25' ' ' LEU . 56.3 mt -79.78 -54.13 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 125.201 1.4 . . . . 0.0 110.517 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.0 m-85 -94.42 1.02 55.82 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.653 1.581 . . . . 0.0 113.575 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.4 t30 53.95 78.85 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.171 2.588 . . . . 0.0 114.148 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.85 98.93 5.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.14 1.376 . . . . 0.0 112.617 -170.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 124.856 1.263 . . . . 0.0 113.949 -177.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -86.2 106.92 17.65 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.152 0.976 . . . . 0.0 111.493 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -116.37 144.36 44.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.208 1.403 . . . . 0.0 110.739 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.9 mtt -123.82 141.9 51.6 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.032 1.733 . . . . 0.0 110.794 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.66 -47.7 0.64 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.193 1.378 . . . . 0.0 113.27 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 p -115.56 169.06 9.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.992 2.117 . . . . 0.0 112.327 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 t -76.86 -48.42 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.05 0.94 . . . . 0.0 112.092 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.56 -21.17 3.26 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.463 1.506 . . . . 0.0 114.903 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.494 HD11 HG12 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.12 -168.67 1.74 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.59 1.556 . . . . 0.0 111.555 175.372 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -114.88 -86.31 0.6 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.269 1.828 . . . . 0.0 109.559 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.69 -33.34 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.003 1.321 . . . . 0.0 112.307 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 tp -59.21 109.11 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.772 1.229 . . . . 0.0 111.931 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -143.14 175.83 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 125.852 1.661 . . . . 0.0 111.658 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -118.59 178.17 4.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.054 1.742 . . . . 0.0 110.519 175.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.7 -30.75 14.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.054 1.341 . . . . 0.0 113.073 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.43 -59.7 3.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.015 1.726 . . . . 0.0 112.789 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.38 -34.33 78.05 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.275 1.03 . . . . 0.0 110.695 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD22 ' A' ' 91' ' ' LEU . 87.3 t -57.42 -50.88 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.163 0.892 . . . . 0.0 110.118 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -31.74 68.33 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.308 -0.87 . . . . 0.0 112.799 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.37 -55.79 5.35 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.311 1.045 . . . . 0.0 112.15 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.531 HG11 HD21 ' A' ' 91' ' ' LEU . 12.7 p -56.52 -37.9 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.436 1.017 . . . . 0.0 111.561 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE1' HD13 ' A' ' 91' ' ' LEU . 3.7 m-85 -59.87 -30.05 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.017 0.527 . . . . 0.0 111.868 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -22.58 38.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 0.0 113.572 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.45 -47.94 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.601 1.16 . . . . 0.0 110.353 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD21 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -84.38 -16.89 41.19 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG23 ' A' ' 109' ' ' ILE . 6.1 tptp -55.84 -26.52 47.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 0.0 113.912 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.2 125.97 30.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.813 1.245 . . . . 0.0 112.515 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.9 mmmm -89.05 5.05 46.21 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.734 1.614 . . . . 0.0 114.007 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -97.23 18.57 14.74 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.387 1.875 . . . . 0.0 113.088 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 65' ' ' LEU . 2.5 pp -99.29 -7.48 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.008 1.723 . . . . 0.0 113.043 -178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 t -41.36 104.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.107 2.163 . . . . 0.0 111.863 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.62 141.22 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.574 1.15 . . . . 0.0 110.402 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.21 149.86 49.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.836 0.855 . . . . 0.0 111.86 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -41.44 90.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.413 1.085 . . . . 0.0 113.104 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -62.86 -44.12 96.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.445 1.098 . . . . 0.0 111.051 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -74.36 -28.26 61.04 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.226 1.01 . . . . 0.0 112.555 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -53.49 -52.1 60.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.877 1.271 . . . . 0.0 112.038 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.24 -28.82 43.86 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -79.85 -52.82 7.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.474 1.909 . . . . 0.0 111.252 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.28 56.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.388 1.475 . . . . 0.0 113.234 176.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -50.58 -40.55 52.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.799 1.24 . . . . 0.0 111.093 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -59.68 3.95 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.404 1.482 . . . . 0.0 113.042 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.64 -47.5 79.6 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 110.573 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -56.87 -43.37 81.15 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 117.877 -1.058 . . . . 0.0 111.97 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -30.58 67.76 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.577 1.08 . . . . 0.0 112.583 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.99 -41.55 28.76 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.764 1.226 . . . . 0.0 111.552 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.08 -17.13 6.2 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.047 -1.033 . . . . 0.0 113.265 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 59' ' ' VAL . 5.4 mm -70.51 -23.87 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.138 1.775 . . . . 0.0 112.745 177.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -120.24 -26.52 5.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.669 1.188 . . . . 0.0 113.399 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.28 -26.17 9.3 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.033 0.933 . . . . 0.0 112.731 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 150.21 43.61 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 124.305 0.955 . . . . 0.0 111.318 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 179.1 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.95 -1.125 . . . . 0.0 112.788 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG12 HD11 ' A' ' 9' ' ' LEU . 6.6 p -46.57 -51.75 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.731 1.212 . . . . 0.0 113.023 174.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -60.34 -34.04 73.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.05 1.34 . . . . 0.0 112.639 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.0 mt-10 -78.31 -50.98 10.81 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.225 1.01 . . . . 0.0 112.557 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.2 mm -48.83 -50.53 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.143 1.377 . . . . 0.0 112.17 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -58.18 -47.16 84.27 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.577 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.19 -38.15 76.17 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 48' ' ' ILE . 84.4 t -60.38 -64.92 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.243 1.017 . . . . 0.0 110.294 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.61 -32.85 65.68 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 21.5 ttp180 -61.31 -56.97 14.44 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.187 1.395 . . . . 0.0 110.301 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.91 -49.24 66.32 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.95 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mp -54.96 -41.98 71.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.678 0.791 . . . . 0.0 112.022 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.407 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.2 m-85 -63.38 -50.37 70.15 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.474 -1.392 . . . . 0.0 113.915 175.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 30' ' ' ILE . 6.4 mp -68.92 -25.92 64.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.13 -37.07 68.96 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.333 1.453 . . . . 0.0 112.84 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -29.26 13.34 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.154 1.382 . . . . 0.0 112.555 177.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.7 74.09 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.899 1.238 . . . . 0.0 114.269 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.6 158.59 44.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.93 1.692 . . . . 0.0 110.857 -175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -60.59 -38.84 85.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.531 1.133 . . . . 0.0 113.542 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -85.93 82.43 8.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.056 1.342 . . . . 0.0 110.75 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 64' ' ' TYR . 1.1 mp -64.65 159.41 22.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -65.36 153.63 40.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.081 -0.387 . . . . 0.0 110.31 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -53.55 -46.27 70.17 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.781 0.832 . . . . 0.0 112.244 177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.77 -39.67 97.78 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.695 0.664 . . . . 0.0 113.73 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.8 -49.62 29.38 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.39 1.076 . . . . 0.0 111.0 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -49.35 -33.65 13.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.047 1.739 . . . . 0.0 112.512 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -58.27 7.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.316 1.446 . . . . 0.0 112.62 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ttm -76.4 -39.16 54.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.669 0.788 . . . . 0.0 112.188 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -55.15 -46.73 75.72 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.942 0.897 . . . . 0.0 111.406 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -50.33 -38.35 41.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.915 1.286 . . . . 0.0 112.769 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -51.08 23.0 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.909 1.284 . . . . 0.0 111.473 175.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.27 -27.65 69.16 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -63.24 -55.51 24.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.131 2.172 . . . . 0.0 111.141 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -58.94 -21.56 58.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.558 1.143 . . . . 0.0 112.651 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.39 -39.35 11.49 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 125.331 1.452 . . . . 0.0 113.579 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.654 ' CD2' HD21 ' A' ' 106' ' ' LEU . 13.6 tp -48.79 -57.73 5.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.074 1.35 . . . . 0.0 109.941 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.13 20.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -63.46 -47.47 81.69 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.388 1.875 . . . . 0.0 112.002 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.76 -48.28 12.72 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.725 0.774 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.758 HD22 HG13 ' A' ' 18' ' ' VAL . 87.8 mt -61.95 -19.37 62.68 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.361 1.464 . . . . 0.0 113.049 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.1 t -42.76 -38.35 2.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.238 2.615 . . . . 0.0 112.862 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -61.08 2.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.307 1.043 . . . . 0.0 111.843 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.683 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.97 -21.21 60.89 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -46.66 71.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.038 1.335 . . . . 0.0 111.301 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t0 44.85 36.92 2.05 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.817 2.047 . . . . 0.0 113.81 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -165.44 0.68 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.056 2.142 . . . . 0.0 112.078 -170.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -66.32 161.34 22.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.791 1.237 . . . . 0.0 112.038 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -55.27 -28.55 54.17 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.933 -1.105 . . . . 0.0 113.104 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -26.26 13.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 112.66 175.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -55.43 -55.22 34.19 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.824 1.193 . . . . 0.0 111.12 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -81.07 -43.54 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.81 1.244 . . . . 0.0 112.63 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.67 -47.19 82.99 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.595 -0.691 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 t -74.77 -21.99 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.503 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.59 -21.01 66.14 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.852 -1.78 . . . . 0.0 110.792 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 87' ' ' LEU . 86.5 mt -55.74 -44.2 77.34 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.474 -1.391 . . . . 0.0 112.767 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -29.59 70.49 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.91 -36.94 56.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.014 1.726 . . . . 0.0 111.512 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 25' ' ' LEU . 38.1 mt -76.48 -59.89 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.344 1.058 . . . . 0.0 110.684 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -83.21 6.49 19.26 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.755 1.222 . . . . 0.0 112.93 -177.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.4 m120 45.96 56.07 6.41 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.229 2.612 . . . . 0.0 113.302 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -87.89 -28.5 21.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.986 1.314 . . . . 0.0 112.316 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.23 2.212 . . . . 0.0 112.266 -179.006 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -63.54 104.12 0.61 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.343 1.071 . . . . 0.0 112.119 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -60.85 -35.99 77.97 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.866 1.267 . . . . 0.0 113.556 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ttm -141.15 139.24 33.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.753 1.621 . . . . 0.0 110.211 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.24 -142.74 9.19 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.455 1.026 . . . . 0.0 112.492 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.65 166.28 2.58 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.865 1.666 . . . . 0.0 112.871 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -63.45 -37.82 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 121.349 -0.844 . . . . 0.0 112.696 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.27 -9.97 5.91 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.614 1.578 . . . . 0.0 114.899 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.27 -173.78 2.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.403 2.281 . . . . 0.0 111.487 175.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -115.96 -84.35 0.63 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.557 1.943 . . . . 0.0 110.187 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -145.06 -31.99 0.4 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.379 1.472 . . . . 0.0 112.661 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 114.42 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.193 . . . . 0.0 112.017 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG21 HG11 ' A' ' 53' ' ' VAL . 2.5 pp -147.6 178.02 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.832 2.053 . . . . 0.0 111.909 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -120.68 179.32 4.38 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.319 1.847 . . . . 0.0 110.377 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.23 -25.66 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.97 -58.8 6.37 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.781 1.232 . . . . 0.0 113.089 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -42.57 90.93 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.965 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 91' ' ' LEU . 46.8 t -51.63 -34.39 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 118.997 0.817 . . . . 0.0 111.345 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -74.85 -42.97 56.94 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.181 -1.574 . . . . 0.0 112.694 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.66 -52.05 42.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.65 0.78 . . . . 0.0 112.137 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 91' ' ' LEU . 11.1 p -54.55 -39.81 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.194 0.907 . . . . 0.0 111.871 175.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.1 m-85 -60.15 -29.71 68.84 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.812 0.733 . . . . 0.0 112.75 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -77.4 -30.84 53.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.935 1.294 . . . . 0.0 112.416 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.97 -53.25 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.045 -1.034 . . . . 0.0 111.132 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.37 -9.84 59.68 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -56.5 -22.9 35.81 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -82.89 121.62 27.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.179 0.992 . . . . 0.0 112.07 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.655 ' HA ' HD21 ' A' ' 65' ' ' LEU . 2.1 mppt? -90.55 14.09 14.12 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.59 6.07 31.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 0.0 113.459 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -78.44 -8.18 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 126.084 1.753 . . . . 0.0 113.941 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -48.39 115.63 1.29 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.555 1.942 . . . . 0.0 113.106 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.732 HG21 ' HG3' ' A' ' 40' ' ' ARG . 7.9 p -80.3 152.7 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.827 -0.546 . . . . 0.0 111.25 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.17 140.25 58.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.017 . . . . 0.0 111.471 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -57.74 -25.08 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -73.54 -60.28 2.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.269 1.027 . . . . 0.0 110.916 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -62.54 -24.6 67.6 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.204 1.001 . . . . 0.0 112.691 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -49.87 -44.26 49.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.7 1.2 . . . . 0.0 112.862 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.15 -32.29 66.23 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.15 -41.44 14.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.397 1.479 . . . . 0.0 111.928 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.732 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.2 mmt180 -54.07 -35.1 61.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.104 1.362 . . . . 0.0 111.989 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.81 -42.45 68.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.808 0.843 . . . . 0.0 110.261 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -65.12 -56.51 12.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.98 1.312 . . . . 0.0 113.308 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.54 -49.84 69.31 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.623 0.647 . . . . 0.0 111.421 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -62.42 -35.34 78.94 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.117 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.56 65.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.716 1.206 . . . . 0.0 112.412 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -76.44 -39.37 53.57 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.331 -0.855 . . . . 0.0 111.381 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -55.37 -20.75 12.83 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.84 -19.48 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.338 1.055 . . . . 0.0 112.913 177.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -120.42 -32.74 4.03 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.931 1.692 . . . . 0.0 112.01 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -111.87 -32.9 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.058 1.343 . . . . 0.0 112.255 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.1 145.46 46.39 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 125.813 1.673 . . . . 0.0 111.937 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -82.83 179.14 7.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.158 -1.021 . . . . 0.0 113.257 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 13' ' ' ILE . 3.6 p -47.89 -50.76 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.316 1.447 . . . . 0.0 113.524 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -59.92 -30.0 68.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.041 1.336 . . . . 0.0 112.229 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.2 mt-10 -85.42 -45.18 12.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.606 1.562 . . . . 0.0 112.22 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.44 -51.18 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.464 1.506 . . . . 0.0 111.474 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.76 80.66 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.59 -36.72 79.25 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 48' ' ' ILE . 83.2 t -65.35 -61.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 123.811 0.844 . . . . 0.0 111.009 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.49 -32.83 65.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.3 ttp180 -59.58 -57.04 14.67 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 125.557 1.543 . . . . 0.0 109.872 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.38 -56.55 9.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.26 -0.4 . . . . 0.0 111.03 175.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.29 -40.07 58.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.173 0.989 . . . . 0.0 113.12 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.88 -50.46 62.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.655 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.0 mp -67.86 -19.33 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -47.53 68.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.647 1.112 . . . . 0.0 112.125 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -85.79 -28.52 24.47 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.431 0.692 . . . . 0.0 111.574 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.05 17.79 78.82 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.85 1.214 . . . . 0.0 113.47 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.21 171.6 17.15 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.921 1.688 . . . . 0.0 111.516 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -26.42 64.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -94.33 79.18 3.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.347 1.459 . . . . 0.0 112.339 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.639 HD12 HD22 ' A' ' 80' ' ' LEU . 33.7 mt -68.37 163.4 23.22 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.237 1.015 . . . . 0.0 112.609 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.7 m -63.96 152.7 39.3 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.899 -0.501 . . . . 0.0 111.334 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -51.46 -43.53 62.13 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.927 0.891 . . . . 0.0 111.977 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 -52.54 46.26 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.46 1.029 . . . . 0.0 113.038 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -55.07 -43.34 73.79 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.705 1.252 . . . . 0.0 111.889 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -56.03 -29.4 60.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.344 1.058 . . . . 0.0 113.31 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -55.32 35.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.871 1.268 . . . . 0.0 111.638 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttm -76.16 -39.79 54.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.574 0.749 . . . . 0.0 111.898 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 HD12 ' A' ' 72' ' ' LEU . 1.9 tp -56.14 -48.14 76.84 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.458 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.21 -41.14 26.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.534 1.133 . . . . 0.0 112.842 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -73.61 -51.42 16.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.376 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.52 67.25 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.919 0.887 . . . . 0.0 113.262 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -53.82 41.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.05 2.14 . . . . 0.0 110.643 174.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -60.25 -20.73 60.19 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.36 1.064 . . . . 0.0 112.698 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.43 -40.14 11.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.49 1.516 . . . . 0.0 112.447 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 106' ' ' LEU . 13.6 tp -47.46 -59.78 2.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.121 1.368 . . . . 0.0 110.616 176.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -18.23 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -65.34 -43.52 90.66 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.163 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.5 -48.99 11.98 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.815 0.817 . . . . 0.0 109.556 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 18' ' ' VAL . 86.4 mt -63.15 -19.02 64.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.822 1.649 . . . . 0.0 113.3 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.61 -38.13 1.91 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.312 2.645 . . . . 0.0 113.161 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -59.52 4.62 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.757 1.223 . . . . 0.0 112.459 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.604 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -78.99 -21.94 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -45.53 54.61 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.909 1.284 . . . . 0.0 111.108 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 48.05 28.64 1.52 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.991 2.116 . . . . 0.0 114.128 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.03 -163.74 1.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.279 2.231 . . . . 0.0 111.835 -170.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 m -66.84 161.74 23.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.863 1.265 . . . . 0.0 111.902 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -55.52 -28.3 53.9 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 121.099 -1.0 . . . . 0.0 113.245 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -27.37 13.23 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.965 1.706 . . . . 0.0 112.864 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.54 -52.23 65.55 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.813 1.188 . . . . 0.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.28 -47.17 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.548 1.139 . . . . 0.0 112.26 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.34 -45.81 80.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.674 0.79 . . . . 0.0 111.444 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -74.61 -32.5 62.34 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.04 -23.77 62.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.951 1.25 . . . . 0.0 111.923 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 87' ' ' LEU . 90.5 mt -56.56 -31.88 64.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.099 0.863 . . . . 0.0 111.697 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -60.18 -29.38 68.65 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -92.41 -23.7 19.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.595 1.958 . . . . 0.0 112.624 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 25' ' ' LEU . 51.2 mt -82.04 -43.24 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.041 1.336 . . . . 0.0 111.936 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.672 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -108.7 5.64 25.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.709 1.204 . . . . 0.0 113.235 -177.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 55.15 51.18 13.72 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.17 2.188 . . . . 0.0 113.381 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.64 -34.63 19.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.233 1.413 . . . . 0.0 113.129 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.335 0 C-N-CA 128.135 2.574 . . . . 0.0 114.239 -171.151 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.74 92.45 2.82 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.294 1.038 . . . . 0.0 111.416 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -156.39 -64.97 0.11 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.507 0.723 . . . . 0.0 112.666 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.18 140.35 48.72 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.164 1.386 . . . . 0.0 111.233 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.0 79.79 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.807 1.67 . . . . 0.0 111.837 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.93 137.71 33.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.942 1.297 . . . . 0.0 110.66 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.18 -32.82 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -10.44 7.56 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.058 1.79 . . . . 0.0 114.587 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.42 -169.67 1.54 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.954 2.102 . . . . 0.0 111.339 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -126.66 -88.81 0.56 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.046 2.139 . . . . 0.0 108.862 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -137.63 -36.75 0.62 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.729 1.612 . . . . 0.0 112.395 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.05 114.14 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.463 1.105 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.69 175.85 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.346 1.858 . . . . 0.0 112.067 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -112.58 179.32 4.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.13 1.772 . . . . 0.0 110.67 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.06 -24.97 11.14 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.49 -56.2 24.26 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.274 1.029 . . . . 0.0 112.947 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -42.83 89.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.07 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.76 HG11 ' HB3' ' A' ' 94' ' ' ALA . 67.5 t -54.7 -49.32 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.969 0.804 . . . . 0.0 110.037 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -65.69 -29.63 70.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.082 -1.011 . . . . 0.0 113.113 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.68 -55.96 5.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 112.771 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 91' ' ' LEU . 8.8 p -55.08 -39.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.068 1.347 . . . . 0.0 111.032 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -58.82 -32.36 69.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.241 0.616 . . . . 0.0 112.091 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -24.15 46.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.822 1.249 . . . . 0.0 113.638 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.03 -53.86 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.768 1.227 . . . . 0.0 110.387 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -81.18 -9.54 59.78 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -58.94 -29.96 67.51 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.03 134.04 40.21 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.53 1.132 . . . . 0.0 110.926 175.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -90.67 -2.62 57.83 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -83.39 18.38 1.83 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.94 1.696 . . . . 0.0 114.376 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 65' ' ' LEU . 2.3 pp -103.37 7.18 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.096 2.559 . . . . 0.0 113.163 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 p -49.83 127.18 15.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.292 1.437 . . . . 0.0 112.856 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.44 127.97 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.58 1.152 . . . . 0.0 109.79 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.4 140.84 58.91 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.352 1.061 . . . . 0.0 112.513 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -33.22 75.19 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.2 m -64.22 -42.94 96.37 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.225 -0.922 . . . . 0.0 111.393 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -82.5 -20.36 36.91 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.802 1.241 . . . . 0.0 112.493 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -44.59 68.39 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 0.0 112.673 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -52.63 -34.36 50.96 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -86.63 -40.82 14.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.082 1.353 . . . . 0.0 111.341 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -55.19 -33.92 63.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.784 1.634 . . . . 0.0 112.515 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.42 -40.74 68.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.615 0.766 . . . . 0.0 110.676 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -66.93 -55.93 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.435 1.494 . . . . 0.0 113.077 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.56 -52.65 61.41 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.645 0.657 . . . . 0.0 110.773 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -59.84 -36.0 75.91 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.078 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -31.58 62.94 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.18 1.355 . . . . 0.0 112.908 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.96 -38.62 36.56 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.314 -0.866 . . . . 0.0 111.311 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -19.51 17.62 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.763 HD11 HG11 ' A' ' 59' ' ' VAL . 4.0 mm -73.15 -17.32 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.694 1.198 . . . . 0.0 113.123 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -122.64 -31.89 3.66 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.907 1.683 . . . . 0.0 112.045 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 p -116.89 -28.48 6.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.359 1.464 . . . . 0.0 112.257 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.19 140.42 37.59 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 125.006 1.289 . . . . 0.0 111.265 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.15 174.86 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.259 -0.97 . . . . 0.0 112.455 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -47.07 -51.32 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.008 1.723 . . . . 0.0 113.082 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.08 -33.92 69.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.836 1.255 . . . . 0.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.66 -46.23 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.399 1.08 . . . . 0.0 113.507 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.9 mm -50.83 -50.58 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.714 1.597 . . . . 0.0 111.653 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.6 89.77 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.36 -35.43 80.37 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.787 -1.196 . . . . 0.0 113.399 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 48' ' ' ILE . 80.3 t -59.57 -66.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.807 0.843 . . . . 0.0 110.277 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -57.45 -32.86 67.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.684 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -57.23 -57.32 13.12 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.956 1.702 . . . . 0.0 110.292 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.06 -45.84 79.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.904 -0.569 . . . . 0.0 109.788 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.88 -37.86 77.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.475 1.11 . . . . 0.0 113.618 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.5 m-85 -68.09 -50.69 53.38 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.899 0.772 . . . . 0.0 113.081 175.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 30' ' ' ILE . 5.6 mp -70.24 -23.51 62.92 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.506 -0.746 . . . . 0.0 112.673 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.35 -35.92 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.834 1.254 . . . . 0.0 111.321 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD3' ' H ' ' A' ' 73' ' ' SER . 2.6 tptt -93.54 -32.15 14.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.058 0.543 . . . . 0.0 112.189 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.0 11.42 66.69 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.212 0.91 . . . . 0.0 114.339 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -130.62 157.34 43.0 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.141 1.776 . . . . 0.0 111.42 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.94 -38.65 91.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.118 1.367 . . . . 0.0 112.992 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 86.34 5.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.859 1.664 . . . . 0.0 109.898 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD12 HD22 ' A' ' 80' ' ' LEU . 60.6 mt -66.28 159.52 26.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.681 0.792 . . . . 0.0 112.227 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' HD3' ' A' ' 67' ' ' LYS . 2.1 m -65.58 152.85 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.711 0.804 . . . . 0.0 110.504 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -50.15 -43.99 52.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.086 0.954 . . . . 0.0 112.472 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.05 80.72 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.571 1.082 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.63 -45.02 66.0 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.814 1.307 . . . . 0.0 111.535 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -50.24 -36.73 32.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.424 1.489 . . . . 0.0 112.885 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -50.48 -59.18 4.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.21 1.804 . . . . 0.0 113.368 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 ttm -76.28 -33.59 59.11 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.913 0.779 . . . . 0.0 111.882 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.766 HD22 HD12 ' A' ' 72' ' ' LEU . 4.5 tp -54.0 -49.19 69.4 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.53 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -52.68 -39.37 61.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.56 1.144 . . . . 0.0 111.947 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -51.95 35.13 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.408 1.083 . . . . 0.0 111.364 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.79 68.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -64.68 -53.41 47.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.12 2.168 . . . . 0.0 111.348 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -22.46 56.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.921 0.889 . . . . 0.0 112.56 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.39 -39.41 11.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.225 1.41 . . . . 0.0 113.129 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 106' ' ' LEU . 16.3 tp -48.46 -57.56 5.93 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.503 1.521 . . . . 0.0 110.364 176.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 118.655 -0.688 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -45.63 85.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.415 1.486 . . . . 0.0 112.712 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.85 -48.83 10.33 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.117 0.961 . . . . 0.0 109.815 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 18' ' ' VAL . 90.6 mt -60.73 -22.29 63.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.809 2.044 . . . . 0.0 113.608 177.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -28.08 2.45 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.225 2.61 . . . . 0.0 113.868 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -67.52 0.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.819 1.247 . . . . 0.0 111.218 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.76 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.12 -19.77 61.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -46.62 53.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.092 1.357 . . . . 0.0 111.962 175.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.6 t70 47.35 27.95 0.99 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 126.611 1.964 . . . . 0.0 114.655 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.38 -167.31 2.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.327 2.251 . . . . 0.0 111.715 -169.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.38 158.79 25.67 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.858 -1.151 . . . . 0.0 111.651 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -54.66 -28.05 44.48 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.286 -0.884 . . . . 0.0 112.854 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.26 -26.54 12.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.043 1.737 . . . . 0.0 112.217 174.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -59.78 4.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.405 1.457 . . . . 0.0 109.603 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.5 mt -79.51 -42.99 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.479 1.112 . . . . 0.0 111.619 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.84 -49.33 71.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.021 0.929 . . . . 0.0 111.441 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -74.87 -28.18 60.55 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -25.75 48.81 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.765 1.62 . . . . 0.0 112.71 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 87' ' ' LEU . 82.6 mt -54.42 -34.53 61.52 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.669 0.788 . . . . 0.0 112.181 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -63.0 -32.21 73.51 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.896 0.878 . . . . 0.0 113.122 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.83 -25.17 24.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.88 2.072 . . . . 0.0 113.086 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' LEU . 63.3 mt -76.48 -67.03 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.486 1.115 . . . . 0.0 109.975 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.3 m-85 -83.99 2.68 37.81 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.896 1.679 . . . . 0.0 113.224 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 t30 54.57 57.87 5.38 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 127.401 2.28 . . . . 0.0 113.005 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.02 -34.48 13.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.353 1.461 . . . . 0.0 113.293 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.898 -170.851 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -154.7 35.25 0.4 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -62.67 150.4 41.03 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.669 -1.269 . . . . 0.0 113.049 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -133.95 169.96 16.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.056 2.142 . . . . 0.0 111.151 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -177.18 17.12 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.123 1.344 . . . . 0.0 112.727 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -81.38 -74.51 0.33 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.389 1.076 . . . . 0.0 112.018 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.42 -35.7 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.586 1.154 . . . . 0.0 111.622 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.28 -12.52 7.12 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.94 1.733 . . . . 0.0 114.61 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.19 176.87 4.94 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.168 1.787 . . . . 0.0 110.713 175.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -53.98 2.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.416 1.886 . . . . 0.0 111.446 -172.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -162.57 -42.64 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.258 1.423 . . . . 0.0 110.828 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -43.63 106.34 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.349 1.86 . . . . 0.0 115.391 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.434 HD13 ' OD1' ' A' ' 17' ' ' ASP . 2.8 pp -148.04 176.4 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.606 1.962 . . . . 0.0 113.519 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -122.13 177.56 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.189 2.195 . . . . 0.0 111.748 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -27.27 9.44 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.621 1.168 . . . . 0.0 113.749 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.18 -57.89 10.89 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.446 1.021 . . . . 0.0 112.99 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' OD1' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -55.3 -38.2 68.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.962 0.905 . . . . 0.0 110.8 175.11 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 94' ' ' ALA . 70.9 t -56.79 -42.02 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -175.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -36.25 83.3 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.107 -0.995 . . . . 0.0 112.941 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.79 -53.95 23.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.748 1.219 . . . . 0.0 112.452 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.554 ' CG1' HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.67 -38.74 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.041 1.291 . . . . 0.0 111.594 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m-85 -61.91 -28.28 69.41 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -77.54 -30.61 52.86 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.084 1.353 . . . . 0.0 112.598 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -52.57 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -78.72 -11.09 59.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 176.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -56.03 -27.83 54.82 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.848 1.259 . . . . 0.0 114.382 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.8 145.35 42.98 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.318 1.047 . . . . 0.0 112.98 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 65' ' ' LEU . 1.8 mmmm -112.31 -3.53 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.167 1.387 . . . . 0.0 113.994 -175.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.88 6.22 49.12 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.403 1.881 . . . . 0.0 112.838 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 HD22 ' A' ' 65' ' ' LEU . 2.2 pp -75.17 -12.43 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.584 1.953 . . . . 0.0 113.837 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.5 p -46.88 104.24 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.657 2.383 . . . . 0.0 113.225 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.4 p -70.53 156.96 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.493 0.663 . . . . 0.0 112.548 -176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.94 148.47 47.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.658 1.183 . . . . 0.0 112.657 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 p -68.2 -35.37 77.88 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -66.7 -47.54 72.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.062 0.945 . . . . 0.0 110.486 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.7 m -68.89 -26.28 65.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.803 1.241 . . . . 0.0 113.079 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -52.82 -42.87 65.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.239 1.016 . . . . 0.0 112.705 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.64 -40.43 62.78 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.176 0.99 . . . . 0.0 113.066 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -82.61 -38.14 23.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.878 1.271 . . . . 0.0 111.646 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.6 mmt180 -55.77 -35.36 66.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.996 1.318 . . . . 0.0 112.148 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.37 -44.64 68.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.737 0.815 . . . . 0.0 110.613 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -60.68 -61.26 2.72 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.057 1.343 . . . . 0.0 112.3 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.67 -50.32 66.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.714 0.688 . . . . 0.0 111.383 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -59.88 -36.02 76.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.377 -0.82 . . . . 0.0 112.93 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -30.14 67.15 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.881 1.219 . . . . 0.0 112.588 174.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.82 -36.5 31.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.15 0.98 . . . . 0.0 111.665 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -18.08 23.26 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 175.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.811 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.86 -26.02 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.465 1.106 . . . . 0.0 112.922 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.07 -24.44 5.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.885 1.274 . . . . 0.0 113.659 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -110.61 -26.15 9.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.236 1.415 . . . . 0.0 112.682 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.83 156.55 47.83 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 124.514 1.054 . . . . 0.0 111.534 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.75 175.67 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.346 -0.927 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 p -52.01 -44.33 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.703 1.601 . . . . 0.0 111.45 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -62.54 -40.16 95.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.453 1.501 . . . . 0.0 110.971 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.1 mt-10 -72.49 -46.67 53.72 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.5 mm -48.48 -48.54 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.327 1.421 . . . . 0.0 111.358 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -59.9 -47.49 85.57 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.45 -34.87 74.62 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 48' ' ' ILE . 89.3 t -63.0 -62.98 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 124.441 1.096 . . . . 0.0 110.473 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.72 -32.98 69.7 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -59.9 -55.75 30.28 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.279 1.432 . . . . 0.0 110.169 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.12 62.22 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.079 0.237 . . . . 0.0 110.692 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.3 -43.86 61.77 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.965 1.306 . . . . 0.0 112.822 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.27 -50.57 65.24 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD22 HG13 ' A' ' 30' ' ' ILE . 5.9 mp -70.5 -25.26 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.289 -0.882 . . . . 0.0 112.375 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.55 -33.9 70.42 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.248 1.419 . . . . 0.0 111.935 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -32.32 15.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.982 0.913 . . . . 0.0 112.628 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.89 18.27 79.56 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.236 0.922 . . . . 0.0 114.585 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.93 177.51 10.07 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.779 1.631 . . . . 0.0 112.499 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -34.13 58.5 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.59 78.57 2.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.568 1.947 . . . . 0.0 110.94 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.675 HD12 HD22 ' A' ' 80' ' ' LEU . 12.2 mt -61.53 158.58 14.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 112.692 -177.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.2 t -63.0 152.32 37.21 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.071 0.948 . . . . 0.0 110.708 175.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.8 -39.48 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.719 0.808 . . . . 0.0 112.219 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.86 -52.05 54.49 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.389 0.995 . . . . 0.0 113.748 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -70.43 -41.79 72.43 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.595 1.158 . . . . 0.0 111.986 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -33.6 34.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.018 1.727 . . . . 0.0 112.665 178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -52.75 -59.78 4.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.786 1.634 . . . . 0.0 113.038 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.22 -36.8 58.41 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.184 0.594 . . . . 0.0 112.328 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD22 HD12 ' A' ' 72' ' ' LEU . 4.7 tp -54.12 -48.75 70.44 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.796 0.838 . . . . 0.0 111.688 176.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 -38.51 56.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.64 1.176 . . . . 0.0 112.569 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -70.16 -53.64 16.33 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.393 1.077 . . . . 0.0 110.91 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.23 69.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.15 -55.14 23.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.159 2.184 . . . . 0.0 110.144 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -60.43 -22.76 63.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.287 1.035 . . . . 0.0 112.817 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 mt -92.46 -32.35 14.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.094 1.758 . . . . 0.0 114.639 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 106' ' ' LEU . 12.2 tp -54.71 -61.25 2.43 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.133 1.373 . . . . 0.0 109.015 175.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -22.0 28.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-O 118.232 -0.89 . . . . 0.0 112.737 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -53.99 -55.25 28.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.322 1.449 . . . . 0.0 111.223 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.61 -39.9 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD21 ' CG1' ' A' ' 21' ' ' VAL . 80.4 mt -62.72 -19.5 63.98 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -44.54 -35.52 2.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 128.191 2.596 . . . . 0.0 113.222 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -70.41 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.636 1.574 . . . . 0.0 112.498 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.914 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.74 -19.59 62.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -45.16 48.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.69 1.196 . . . . 0.0 111.58 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 47.19 28.52 1.0 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.691 1.996 . . . . 0.0 114.386 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.81 -166.6 1.91 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.498 2.319 . . . . 0.0 111.676 -169.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -67.31 156.61 36.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.6 1.16 . . . . 0.0 111.467 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -53.86 -28.27 35.09 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.147 -0.97 . . . . 0.0 113.02 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -26.13 5.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.76 2.024 . . . . 0.0 112.75 174.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -59.87 4.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.679 1.127 . . . . 0.0 109.11 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.2 -43.07 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.505 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -56.03 -49.94 72.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.794 0.838 . . . . 0.0 111.297 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -74.83 -28.43 60.69 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.65 -25.79 29.1 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.738 1.608 . . . . 0.0 112.284 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.605 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -53.84 -32.4 52.78 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.623 0.769 . . . . 0.0 111.746 175.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -66.06 -30.19 70.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.018 0.927 . . . . 0.0 113.159 174.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -90.09 -19.98 23.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.011 2.124 . . . . 0.0 113.308 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 25' ' ' LEU . 59.9 mt -85.87 -63.2 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.15 1.38 . . . . 0.0 109.626 174.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.605 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.5 m-85 -84.3 2.69 39.01 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.552 1.541 . . . . 0.0 113.398 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 54.47 56.03 7.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.169 2.588 . . . . 0.0 113.947 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt -90.63 -36.0 14.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.771 1.628 . . . . 0.0 112.405 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.507 3.123 . . . . 0.0 115.445 -171.067 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 p -86.81 51.51 2.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.271 2.229 . . . . 0.0 113.451 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -64.41 -23.74 67.39 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.801 1.24 . . . . 0.0 114.0 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 177.52 2.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.832 1.653 . . . . 0.0 112.452 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.58 -162.7 54.6 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 121.445 -0.784 . . . . 0.0 111.808 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -110.03 -68.27 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 112.267 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.38 -38.96 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.447 0.699 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.35 -11.61 6.08 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.76 1.648 . . . . 0.0 114.967 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.99 -178.85 3.46 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.782 2.033 . . . . 0.0 111.43 176.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -107.59 -72.37 0.72 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.632 1.573 . . . . 0.0 111.426 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.36 -33.97 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.347 1.459 . . . . 0.0 112.494 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -59.24 111.13 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.767 1.227 . . . . 0.0 111.826 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -139.58 175.29 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.852 1.661 . . . . 0.0 112.69 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -115.2 175.71 5.39 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.991 2.116 . . . . 0.0 110.857 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.18 -27.12 8.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.527 1.131 . . . . 0.0 113.936 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.02 -55.24 35.2 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.746 1.157 . . . . 0.0 113.171 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -42.62 80.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.128 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG11 ' HB3' ' A' ' 94' ' ' ALA . 61.6 t -55.21 -42.1 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 118.371 0.532 . . . . 0.0 110.164 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -31.06 68.0 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.476 -1.39 . . . . 0.0 112.709 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -76.82 -54.5 6.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.372 1.469 . . . . 0.0 113.035 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 8.8 p -54.66 -37.67 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.337 1.055 . . . . 0.0 111.6 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -60.11 -30.56 69.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.262 0.625 . . . . 0.0 112.28 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -78.5 -29.75 46.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.216 1.406 . . . . 0.0 112.417 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.4 -53.12 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.302 1.041 . . . . 0.0 111.098 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -80.77 -9.77 59.78 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.779 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -54.86 -28.94 53.84 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -75.19 141.4 43.62 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.956 0.902 . . . . 0.0 112.877 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 -7.33 15.02 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -86.14 6.41 29.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.746 1.618 . . . . 0.0 113.252 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.453 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -73.02 -12.46 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.174 1.79 . . . . 0.0 113.667 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -48.05 104.16 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.885 2.074 . . . . 0.0 113.292 -171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG21 ' HG3' ' A' ' 40' ' ' ARG . 9.9 p -68.02 149.83 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.342 0.657 . . . . 0.0 112.079 -176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.39 151.84 46.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.037 0.935 . . . . 0.0 111.857 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.6 p -62.19 -46.64 88.04 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.8 m -60.71 -38.66 85.81 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.189 -0.945 . . . . 0.0 111.763 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -76.66 -28.25 55.9 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.896 0.879 . . . . 0.0 111.937 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 66' ' ' LEU . 8.7 t-105 -57.0 -47.52 80.65 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.961 1.304 . . . . 0.0 112.77 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -51.22 -32.21 23.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.816 0.847 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -86.89 -44.47 11.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.706 1.602 . . . . 0.0 111.88 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.667 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.3 mmt180 -53.49 -33.44 54.33 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.02 1.728 . . . . 0.0 112.712 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.01 -41.19 64.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.913 0.885 . . . . 0.0 111.065 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -67.56 -56.22 10.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.881 1.672 . . . . 0.0 112.478 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.2 -51.18 67.38 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.368 0.531 . . . . 0.0 111.565 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.3 m-30 -61.57 -34.21 75.2 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.938 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -33.69 67.52 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.707 1.14 . . . . 0.0 112.236 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -78.68 -37.25 42.23 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.236 -0.915 . . . . 0.0 111.521 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -54.05 -23.65 14.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 59' ' ' VAL . 4.9 mm -67.47 -21.61 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.86 1.264 . . . . 0.0 112.506 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -119.99 -31.98 4.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.334 1.854 . . . . 0.0 112.348 -173.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.5 p -116.09 -26.55 7.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.142 1.377 . . . . 0.0 112.622 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.9 152.49 47.38 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 124.797 1.189 . . . . 0.0 111.487 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.3 178.43 6.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.982 -1.109 . . . . 0.0 112.594 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -47.76 -52.07 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.295 1.438 . . . . 0.0 113.31 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.26 -30.05 68.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.291 1.437 . . . . 0.0 111.941 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.2 mt-10 -84.74 -46.4 11.46 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.484 1.114 . . . . 0.0 113.297 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.4 mm -50.01 -49.43 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 120.167 1.348 . . . . 0.0 110.77 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.54 93.11 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.72 -30.48 71.5 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.484 -1.385 . . . . 0.0 114.257 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.76 HG11 HD11 ' A' ' 48' ' ' ILE . 81.8 t -65.78 -63.73 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.324 1.05 . . . . 0.0 110.111 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.11 -30.59 66.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.136 0.575 . . . . 0.0 112.548 -179.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.36 -55.97 28.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.193 1.797 . . . . 0.0 111.573 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -53.03 58.41 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.6 0.562 . . . . 0.0 110.234 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -52.76 -44.79 66.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.086 1.354 . . . . 0.0 113.441 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -61.67 -50.74 71.28 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.222 1.009 . . . . 0.0 113.355 176.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD12 HD11 ' A' ' 30' ' ' ILE . 45.0 mt -71.43 -28.8 64.24 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.658 -0.651 . . . . 0.0 112.713 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 37' ' ' TRP . 10.9 mt -59.41 -37.15 77.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.468 1.107 . . . . 0.0 111.256 174.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.23 -32.3 58.83 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.465 0.706 . . . . 0.0 112.234 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.71 11.61 69.32 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.513 1.054 . . . . 0.0 114.462 -173.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.73 176.37 12.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.849 1.659 . . . . 0.0 111.541 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -31.26 60.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.345 1.458 . . . . 0.0 114.223 177.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.12 84.5 6.91 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.834 1.254 . . . . 0.0 111.375 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -59.92 150.25 29.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -63.8 159.9 18.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.931 0.492 . . . . 0.0 110.965 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.91 -45.35 67.54 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.771 0.714 . . . . 0.0 112.106 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.77 -52.67 18.9 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 119.375 -0.681 . . . . 0.0 112.234 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.725 1.263 . . . . 0.0 112.673 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.17 -30.29 64.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.161 0.985 . . . . 0.0 112.423 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -51.58 69.12 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.646 1.178 . . . . 0.0 111.972 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -76.44 -41.47 47.37 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 72' ' ' LEU . 4.1 tp -55.47 -46.65 76.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.549 0.74 . . . . 0.0 111.851 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -50.63 -40.16 52.35 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.752 1.221 . . . . 0.0 112.866 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.75 -49.6 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.117 0.967 . . . . 0.0 111.067 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.77 -29.44 69.42 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -63.89 -55.07 25.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.015 2.126 . . . . 0.0 110.903 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -59.78 -20.33 56.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.29 1.036 . . . . 0.0 112.634 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.38 -40.68 10.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.429 1.491 . . . . 0.0 112.944 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 106' ' ' LEU . 14.2 tp -48.46 -56.81 7.25 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.032 1.333 . . . . 0.0 110.973 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -15.69 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -69.38 -42.43 75.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.204 1.802 . . . . 0.0 112.467 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.3 -49.1 11.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.697 0.76 . . . . 0.0 109.731 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.675 HD22 HG13 ' A' ' 18' ' ' VAL . 94.8 mt -62.73 -19.25 63.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.021 1.728 . . . . 0.0 113.704 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -34.39 1.8 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 128.127 2.571 . . . . 0.0 113.743 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -68.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.556 1.542 . . . . 0.0 112.478 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.71 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.66 -19.63 62.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -45.3 62.39 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.771 1.228 . . . . 0.0 111.671 174.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t0 42.12 37.37 0.85 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 127.068 2.147 . . . . 0.0 113.675 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.03 -167.29 1.04 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.891 2.076 . . . . 0.0 111.815 -170.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 m -66.21 158.14 29.6 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.841 1.256 . . . . 0.0 111.524 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -55.3 -27.71 48.66 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.277 -0.889 . . . . 0.0 113.072 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.62 -25.48 10.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.811 1.644 . . . . 0.0 112.819 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -59.62 4.46 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.178 1.353 . . . . 0.0 108.976 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.38 -40.34 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.193 0.997 . . . . 0.0 111.784 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.88 -47.05 81.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.434 0.694 . . . . 0.0 111.405 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 m -74.69 -29.34 61.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.782 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -22.24 23.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.085 1.766 . . . . 0.0 112.922 175.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.657 HD22 ' CE2' ' A' ' 110' ' ' PHE . 84.7 mt -57.02 -37.98 72.49 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.796 -1.19 . . . . 0.0 111.767 174.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -24.95 66.77 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.638 0.654 . . . . 0.0 112.201 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.5 -26.65 26.12 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.677 1.591 . . . . 0.0 113.077 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 25' ' ' LEU . 36.2 mt -86.04 -67.7 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.135 1.374 . . . . 0.0 109.97 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.657 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.2 m-85 -78.79 -9.26 59.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.0 1.32 . . . . 0.0 113.09 -174.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t30 56.56 58.17 4.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.648 2.379 . . . . 0.0 114.036 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -34.8 44.04 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.457 1.103 . . . . 0.0 113.254 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.26 0 C-N-CA 127.163 2.185 . . . . 0.0 112.191 179.12 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -143.71 160.18 41.16 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.443 1.097 . . . . 0.0 112.055 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -140.65 9.24 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.812 1.645 . . . . 0.0 113.69 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.18 141.4 19.5 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.44 1.896 . . . . 0.0 111.182 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 128.93 -83.02 0.33 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.463 1.506 . . . . 0.0 112.772 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -126.53 154.95 43.14 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.497 1.919 . . . . 0.0 111.664 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.45 -34.07 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 125.19 1.396 . . . . 0.0 113.226 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.56 -38.69 1.82 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 126.083 1.801 . . . . 0.0 113.827 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD11 HG12 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -81.58 -175.86 5.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.603 1.161 . . . . 0.0 112.233 174.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -111.62 -72.27 0.72 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.231 1.812 . . . . 0.0 112.243 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -35.33 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.471 1.508 . . . . 0.0 112.051 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.1 116.92 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.565 1.146 . . . . 0.0 112.049 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 53' ' ' VAL . 2.6 pp -147.98 168.52 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.125 1.77 . . . . 0.0 112.086 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 p -110.75 176.5 5.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.332 1.853 . . . . 0.0 111.427 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.48 -32.17 26.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.011 0.924 . . . . 0.0 112.961 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.6 -55.83 19.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.074 0.95 . . . . 0.0 112.59 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.16 -36.86 85.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.725 0.81 . . . . 0.0 111.512 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.0 t -55.45 -49.34 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.089 0.955 . . . . 0.0 110.272 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.57 75.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.591 -0.693 . . . . 0.0 112.303 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.47 -55.65 9.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.687 1.195 . . . . 0.0 112.002 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 91' ' ' LEU . 13.4 p -56.53 -42.44 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 119.019 0.827 . . . . 0.0 111.532 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.1 m-85 -54.57 -36.94 64.9 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.057 0.844 . . . . 0.0 112.082 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -27.04 67.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 0.0 114.061 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.21 -46.47 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.694 1.197 . . . . 0.0 110.45 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -83.21 -12.25 57.03 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 177.653 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -22.42 58.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.73 1.212 . . . . 0.0 114.053 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.03 121.81 28.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.856 0.862 . . . . 0.0 111.509 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.3 -9.83 58.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.173 0.989 . . . . 0.0 113.436 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.98 4.48 14.18 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.932 1.693 . . . . 0.0 114.0 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 65' ' ' LEU . 2.5 pp -79.69 -10.79 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.538 1.935 . . . . 0.0 113.724 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -46.39 104.09 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.333 2.253 . . . . 0.0 113.235 -174.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.614 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.7 p -68.85 150.32 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.353 0.597 . . . . 0.0 112.539 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 147.67 49.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.729 1.212 . . . . 0.0 112.017 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.68 86.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.475 1.11 . . . . 0.0 113.667 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -66.72 -44.24 82.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.651 -0.656 . . . . 0.0 110.797 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 m -73.35 -26.54 61.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.494 1.118 . . . . 0.0 112.641 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -53.47 -53.2 54.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.827 1.251 . . . . 0.0 112.86 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -54.59 -28.96 50.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.87 -45.67 34.35 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.614 ' HG3' HG21 ' A' ' 32' ' ' VAL . 7.2 mmt180 -61.78 -30.81 71.05 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.44 1.496 . . . . 0.0 113.002 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -50.64 -39.14 49.7 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.044 0.938 . . . . 0.0 110.542 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.08 -63.31 1.19 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.508 1.523 . . . . 0.0 112.993 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.47 -50.51 59.69 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.567 0.622 . . . . 0.0 111.534 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.665 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.4 m-30 -59.77 -38.74 82.65 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.09 0.956 . . . . 0.0 112.726 177.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -58.78 -30.2 67.39 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.921 1.237 . . . . 0.0 112.293 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.7 -32.82 31.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.344 -0.847 . . . . 0.0 111.946 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -59.1 -19.17 42.03 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.586 -0.696 . . . . 0.0 112.635 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.16 -20.98 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.318 1.047 . . . . 0.0 112.481 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -32.04 4.27 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.507 1.523 . . . . 0.0 112.497 -177.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 p -110.94 -25.69 9.69 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.105 1.362 . . . . 0.0 112.577 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.02 146.59 32.33 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 124.863 1.22 . . . . 0.0 111.158 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -177.42 6.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.954 -1.123 . . . . 0.0 113.678 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 13' ' ' ILE . 6.0 p -47.32 -52.36 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.743 1.217 . . . . 0.0 113.352 174.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -60.63 -35.07 75.27 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.674 1.189 . . . . 0.0 111.663 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.1 mt-10 -78.47 -48.96 14.29 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.961 1.304 . . . . 0.0 112.016 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.16 -50.06 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.286 1.434 . . . . 0.0 111.27 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -63.61 -33.15 74.97 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.13 -33.45 67.79 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.913 -1.117 . . . . 0.0 112.342 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 44' ' ' TYR . 89.9 t -62.72 -65.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.93 1.292 . . . . 0.0 110.122 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.723 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.0 -32.52 67.98 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.226 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.83 -52.87 63.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 126.65 1.98 . . . . 0.0 111.191 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -51.47 61.21 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.693 0.62 . . . . 0.0 110.299 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.55 -47.15 80.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 175.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.9 m-85 -55.99 -46.49 78.68 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.982 -1.074 . . . . 0.0 113.211 175.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 30' ' ' ILE . 38.5 mt -74.79 -25.92 59.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.43 -34.81 69.34 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.88 1.272 . . . . 0.0 112.157 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -81.2 -32.14 33.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.013 0.925 . . . . 0.0 112.287 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.57 -4.7 83.83 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.944 1.735 . . . . 0.0 114.895 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.72 167.22 25.2 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.043 2.137 . . . . 0.0 111.18 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -12.28 60.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.51 67.96 5.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.497 2.319 . . . . 0.0 111.562 177.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 80' ' ' LEU . 5.6 mp -60.56 151.12 29.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.82 1.248 . . . . 0.0 112.902 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -76.37 170.55 16.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.272 0.629 . . . . 0.0 110.83 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.0 -50.7 60.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.865 1.266 . . . . 0.0 112.727 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.62 -39.43 95.1 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 123.686 0.66 . . . . 0.0 113.753 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -72.87 -48.16 39.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.9 0.88 . . . . 0.0 110.435 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.52 -34.98 52.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.73 1.612 . . . . 0.0 112.938 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -59.52 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.399 1.48 . . . . 0.0 113.081 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.42 -41.0 49.18 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.02 0.528 . . . . 0.0 111.778 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 72' ' ' LEU . 8.0 tp -53.65 -45.93 70.38 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.913 0.885 . . . . 0.0 111.712 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -49.48 -41.57 40.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.898 1.679 . . . . 0.0 112.866 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.86 -50.05 22.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.06 0.944 . . . . 0.0 111.031 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.64 71.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -54.84 31.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.587 2.355 . . . . 0.0 110.889 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -55.38 -24.37 29.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.482 1.513 . . . . 0.0 113.0 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.38 -38.85 11.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.4 1.08 . . . . 0.0 113.468 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.723 HD22 HD11 ' A' ' 60' ' ' LEU . 19.7 tp -48.35 -61.41 2.01 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.394 1.478 . . . . 0.0 110.454 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -19.08 25.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.691 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -46.74 86.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.133 1.773 . . . . 0.0 112.254 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.89 -48.6 12.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.72 0.772 . . . . 0.0 109.644 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 18' ' ' VAL . 93.1 mt -61.83 -20.26 63.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.303 1.841 . . . . 0.0 112.811 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.03 -38.18 1.57 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.579 2.751 . . . . 0.0 113.016 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -63.21 1.26 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.318 1.047 . . . . 0.0 111.903 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.639 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.45 -21.88 61.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -44.63 67.29 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.848 1.259 . . . . 0.0 111.881 175.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 42.81 35.39 0.71 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.806 2.042 . . . . 0.0 114.176 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.4 -165.99 0.93 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.403 2.281 . . . . 0.0 111.458 -169.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.43 159.66 29.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.389 1.075 . . . . 0.0 111.557 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.31 -27.77 49.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.845 0.858 . . . . 0.0 112.991 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -26.74 12.76 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.178 1.791 . . . . 0.0 112.672 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -59.53 4.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.907 1.231 . . . . 0.0 109.38 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.23 -43.09 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 123.782 0.833 . . . . 0.0 111.864 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.17 -45.81 79.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.567 0.747 . . . . 0.0 111.359 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -74.7 -34.28 62.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -55.37 -21.97 17.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.039 1.29 . . . . 0.0 112.941 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 87' ' ' LEU . 88.0 mt -52.82 -44.12 66.44 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 119.145 0.884 . . . . 0.0 112.228 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 112' ' ' LEU . 4.6 pttt -59.72 -31.85 69.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.721 0.809 . . . . 0.0 112.621 176.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -80.85 -30.22 35.69 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.302 1.841 . . . . 0.0 113.135 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.825 HG21 HD12 ' A' ' 25' ' ' LEU . 32.2 mt -80.98 -65.49 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.892 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.9 m-85 -73.76 -5.94 43.88 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.169 1.787 . . . . 0.0 112.893 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 55.64 60.58 3.24 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.438 2.295 . . . . 0.0 112.837 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 107' ' ' LYS . 1.6 mt -97.14 -67.8 0.83 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.851 1.261 . . . . 0.0 110.808 -171.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 129.239 3.016 . . . . 0.0 114.694 -177.911 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -139.63 104.8 5.01 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.745 1.618 . . . . 0.0 112.235 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -156.87 42.75 0.36 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.95 1.7 . . . . 0.0 112.93 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.2 mtp -64.21 100.61 0.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.196 0.998 . . . . 0.0 111.461 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.13 -169.38 15.66 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 127.615 2.531 . . . . 0.0 111.76 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -77.6 -75.17 0.22 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.479 1.111 . . . . 0.0 112.391 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.6 -33.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 121.517 -0.739 . . . . 0.0 112.281 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.52 -6.44 9.84 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.821 1.677 . . . . 0.0 115.202 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.34 -175.6 3.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.151 2.18 . . . . 0.0 111.161 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -116.25 -73.14 0.66 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.355 1.462 . . . . 0.0 111.993 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -156.09 -34.61 0.09 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.514 1.526 . . . . 0.0 112.249 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 115.45 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.892 1.277 . . . . 0.0 112.216 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.25 174.77 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.676 1.99 . . . . 0.0 112.132 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 p -111.99 177.17 4.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.945 1.698 . . . . 0.0 110.458 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.52 -22.58 8.44 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.088 1.355 . . . . 0.0 114.001 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -60.41 -54.2 48.42 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.826 1.25 . . . . 0.0 112.854 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -42.99 80.37 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.816 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD22 ' A' ' 91' ' ' LEU . 45.4 t -55.89 -29.78 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 123.752 0.658 . . . . 0.0 110.909 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -76.96 -49.87 14.5 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.29 -1.506 . . . . 0.0 111.126 175.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -58.94 -51.7 68.92 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.754 1.222 . . . . 0.0 112.341 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 91' ' ' LEU . 11.7 p -55.73 -46.54 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.963 1.305 . . . . 0.0 111.66 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.5 m-85 -55.5 -38.66 69.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.218 0.917 . . . . 0.0 111.312 175.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.71 69.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.143 1.377 . . . . 0.0 114.082 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.97 -47.07 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.406 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.85 -13.56 55.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 178.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -58.04 -27.06 63.24 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.019 1.327 . . . . 0.0 114.201 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -82.03 121.58 26.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.052 1.341 . . . . 0.0 111.955 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.57 -5.34 59.14 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.31 6.32 12.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.673 1.989 . . . . 0.0 114.125 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -85.25 -8.14 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.066 2.146 . . . . 0.0 114.091 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -46.55 104.9 0.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.351 2.26 . . . . 0.0 113.968 -171.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.27 122.37 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.881 1.272 . . . . 0.0 111.269 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 137.77 58.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.505 1.522 . . . . 0.0 112.582 176.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -60.02 -30.66 69.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.944 1.297 . . . . 0.0 114.462 -174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -63.45 -46.42 86.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.791 1.236 . . . . 0.0 111.534 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.2 m -79.62 -24.81 41.68 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.286 1.035 . . . . 0.0 112.104 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -50.3 -45.59 54.72 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.559 1.072 . . . . 0.0 113.116 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -53.07 -32.47 47.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.108 0.963 . . . . 0.0 112.877 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.8 -41.75 13.84 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.435 1.894 . . . . 0.0 112.0 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.16 61.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.165 . . . . 0.0 112.06 175.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.09 -41.82 62.72 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.074 0.95 . . . . 0.0 111.09 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -65.5 -58.23 6.31 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.714 1.206 . . . . 0.0 112.736 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.48 -48.31 71.97 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.826 0.739 . . . . 0.0 111.114 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.614 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.6 m-30 -62.28 -37.93 87.39 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.104 0.961 . . . . 0.0 113.02 177.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -35.11 65.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.75 1.159 . . . . 0.0 112.39 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.38 -39.01 48.75 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.318 -0.864 . . . . 0.0 111.546 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -53.87 -23.09 11.4 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.654 HD11 HG11 ' A' ' 59' ' ' VAL . 5.2 mm -68.65 -20.72 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.417 1.087 . . . . 0.0 112.71 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -120.09 -32.48 4.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.703 2.001 . . . . 0.0 112.428 -173.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -114.17 -28.91 7.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.083 1.353 . . . . 0.0 112.228 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.27 142.95 33.63 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 125.34 1.448 . . . . 0.0 111.589 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.45 177.4 9.01 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.15 -52.35 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.063 1.745 . . . . 0.0 113.508 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -59.95 -27.01 66.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.509 1.524 . . . . 0.0 112.888 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.69 -46.49 9.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.213 1.405 . . . . 0.0 111.811 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.9 mm -52.35 -47.54 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.186 1.394 . . . . 0.0 110.749 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -61.64 -36.56 81.14 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.5 -46.29 76.73 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.327 -0.858 . . . . 0.0 110.094 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 48' ' ' ILE . 89.7 t -51.05 -63.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.581 1.152 . . . . 0.0 110.986 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -62.15 -48.91 78.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.579 1.952 . . . . 0.0 111.373 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -52.86 -51.75 59.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.25 0.62 . . . . 0.0 109.942 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.86 -41.36 97.74 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.68 -50.53 73.49 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.946 0.794 . . . . 0.0 112.501 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 30' ' ' ILE . 38.9 mt -74.44 -19.33 60.44 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -35.24 72.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.902 1.281 . . . . 0.0 111.899 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 -28.83 14.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.665 1.186 . . . . 0.0 111.991 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.67 17.8 74.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.093 1.33 . . . . 0.0 113.997 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -151.42 179.31 8.45 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.606 1.962 . . . . 0.0 111.664 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -8.86 33.62 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.523 1.529 . . . . 0.0 114.383 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -94.99 57.08 2.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.41 1.884 . . . . 0.0 110.669 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 80' ' ' LEU . 16.2 mt -56.74 140.65 46.83 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.981 0.912 . . . . 0.0 111.437 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -65.24 166.1 10.4 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.888 0.475 . . . . 0.0 110.946 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -48.44 -46.47 37.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.054 0.942 . . . . 0.0 112.575 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.53 -52.57 49.37 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.038 0.827 . . . . 0.0 113.624 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -68.0 -41.12 82.76 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.952 1.376 . . . . 0.0 112.056 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -56.82 -33.91 67.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.44 1.496 . . . . 0.0 113.101 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -50.71 -59.54 3.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.024 1.33 . . . . 0.0 112.78 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttm -76.42 -38.54 55.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.101 0.56 . . . . 0.0 112.084 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 72' ' ' LEU . 4.0 tp -54.46 -46.77 73.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.641 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -50.75 -39.8 53.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.046 1.338 . . . . 0.0 112.679 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -50.57 26.78 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.522 1.129 . . . . 0.0 111.256 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.04 69.77 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.415 HH11 HD21 ' A' ' 80' ' ' LEU . 13.5 mmm-85 -65.02 -54.8 24.67 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.347 2.259 . . . . 0.0 110.898 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t -58.25 -21.81 49.91 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.649 1.18 . . . . 0.0 112.603 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -92.27 -42.12 10.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.547 1.539 . . . . 0.0 112.967 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 106' ' ' LEU . 14.8 tp -46.74 -58.96 3.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.477 1.511 . . . . 0.0 110.23 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -19.51 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -61.57 -46.04 91.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.927 1.691 . . . . 0.0 112.044 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.7 -48.97 11.8 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.948 0.88 . . . . 0.0 109.597 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 21' ' ' VAL . 86.5 mt -62.39 -18.52 61.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.08 1.752 . . . . 0.0 113.11 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -43.36 -37.96 2.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.243 2.617 . . . . 0.0 113.398 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -61.41 2.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.11 1.364 . . . . 0.0 111.803 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.62 -24.63 58.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -43.98 50.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.58 1.152 . . . . 0.0 111.42 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.29 33.29 0.82 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.23 2.212 . . . . 0.0 113.78 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.47 -166.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.556 2.342 . . . . 0.0 111.381 -168.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.2 m -67.29 159.8 28.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.442 1.097 . . . . 0.0 111.723 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.11 -27.89 48.53 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.305 -0.872 . . . . 0.0 113.032 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 -27.9 13.07 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.465 175.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.75 -57.14 11.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 120.462 1.483 . . . . 0.0 109.924 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mt -81.25 -42.0 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.734 0.814 . . . . 0.0 111.687 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -57.03 -46.49 82.34 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.459 0.704 . . . . 0.0 111.682 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -32.82 62.32 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.95 -19.0 15.61 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.18 1.355 . . . . 0.0 113.032 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.613 HD22 ' CE2' ' A' ' 110' ' ' PHE . 83.7 mt -55.34 -36.69 66.56 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.383 0.992 . . . . 0.0 111.301 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -64.19 -25.42 68.07 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 0.0 112.731 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -91.22 -16.02 28.33 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.779 2.031 . . . . 0.0 113.191 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 25' ' ' LEU . 13.6 mt -95.59 -67.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.636 1.174 . . . . 0.0 110.831 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -77.58 -14.21 59.71 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.485 1.114 . . . . 0.0 112.727 -176.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 62.2 80.07 0.24 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.357 2.663 . . . . 0.0 114.257 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.98 -64.54 1.25 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 112.91 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.867 2.067 . . . . 0.0 114.559 177.045 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 CA-C-O 119.563 -0.576 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -107.27 -47.68 3.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.579 1.152 . . . . 0.0 111.746 -176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -62.57 -27.21 69.02 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.838 1.255 . . . . 0.0 113.134 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -45.61 93.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.428 1.891 . . . . 0.0 112.431 175.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.03 -121.98 6.64 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.687 1.613 . . . . 0.0 112.496 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -110.63 168.77 9.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.116 1.766 . . . . 0.0 112.077 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 t -75.83 -30.6 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.826 0.851 . . . . 0.0 112.883 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.61 -13.63 7.3 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.967 1.746 . . . . 0.0 114.674 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.18 -176.14 2.88 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.049 2.14 . . . . 0.0 111.429 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -111.91 -71.39 0.76 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.618 1.567 . . . . 0.0 111.301 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -159.68 -37.12 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.217 1.407 . . . . 0.0 112.058 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.43 116.38 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.729 1.212 . . . . 0.0 112.219 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.93 177.28 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 126.056 1.743 . . . . 0.0 112.095 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -114.95 177.27 4.71 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.687 1.995 . . . . 0.0 111.128 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.43 -29.74 6.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.294 1.038 . . . . 0.0 113.708 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.15 -56.3 21.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.981 1.313 . . . . 0.0 113.108 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -57.54 -42.89 83.82 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.879 174.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.775 HG13 HD22 ' A' ' 91' ' ' LEU . 47.2 t -55.36 -28.63 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.814 0.696 . . . . 0.0 110.936 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -48.66 16.66 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.274 -1.516 . . . . 0.0 111.665 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.53 -52.66 62.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.142 0.977 . . . . 0.0 112.594 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.791 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 p -52.98 -40.61 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.099 0.96 . . . . 0.0 111.761 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.9 m-85 -60.96 -33.2 72.83 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.375 0.67 . . . . 0.0 112.254 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 t -74.35 -29.62 61.65 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.414 1.085 . . . . 0.0 112.583 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.63 -53.01 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.962 -1.086 . . . . 0.0 111.455 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -81.36 -9.21 59.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.251 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -26.25 50.9 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.0 147.72 49.76 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.984 0.914 . . . . 0.0 112.62 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 65' ' ' LEU . 10.9 mmmm -112.45 -5.9 14.04 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.037 1.335 . . . . 0.0 114.353 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -92.73 10.82 29.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.265 1.426 . . . . 0.0 112.97 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.722 HG13 HD22 ' A' ' 65' ' ' LEU . 2.3 pp -75.12 -10.05 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.742 1.617 . . . . 0.0 112.943 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -42.45 104.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.841 2.456 . . . . 0.0 112.679 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG21 ' HG3' ' A' ' 40' ' ' ARG . 13.7 p -71.29 151.3 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.517 0.727 . . . . 0.0 111.569 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.42 145.16 56.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.046 0.938 . . . . 0.0 111.754 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 p -66.32 -41.74 89.23 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.956 1.302 . . . . 0.0 113.872 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.9 m -65.57 -42.83 91.33 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.279 -0.888 . . . . 0.0 111.268 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -75.49 -25.0 56.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.833 0.853 . . . . 0.0 112.449 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CE3' HD11 ' A' ' 66' ' ' LEU . 6.8 t-105 -51.46 -50.89 58.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.884 1.22 . . . . 0.0 112.264 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.12 -31.27 51.77 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -78.69 -46.02 20.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.158 1.383 . . . . 0.0 111.23 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 32' ' ' VAL . 1.2 mmp_? -58.34 -29.03 65.63 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.553 1.141 . . . . 0.0 112.366 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.68 -38.82 56.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.86 0.864 . . . . 0.0 110.463 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -65.34 -62.02 1.78 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.052 1.741 . . . . 0.0 112.469 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.5 -52.05 41.81 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.451 0.7 . . . . 0.0 111.204 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.668 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.8 m-30 -60.72 -38.42 85.03 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.092 -0.956 . . . . 0.0 113.089 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mtt -58.14 -29.46 65.57 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.048 1.294 . . . . 0.0 112.478 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.98 -42.24 33.45 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.189 0.995 . . . . 0.0 110.616 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -15.99 4.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 HG11 ' A' ' 59' ' ' VAL . 6.7 mm -72.08 -26.47 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.721 1.208 . . . . 0.0 112.628 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 -27.77 5.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.172 1.389 . . . . 0.0 113.358 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 p -106.78 -28.81 9.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.827 1.251 . . . . 0.0 111.854 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.2 154.41 51.83 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-O 122.377 0.987 . . . . 0.0 111.632 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 178.96 5.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.906 -1.147 . . . . 0.0 112.55 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.7 p -48.64 -48.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.856 1.262 . . . . 0.0 113.278 175.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -63.62 -28.96 70.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.032 1.333 . . . . 0.0 112.291 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.5 mt-10 -82.97 -49.08 9.97 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.61 1.164 . . . . 0.0 112.126 178.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.8 mm -49.59 -52.68 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.744 1.618 . . . . 0.0 112.211 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.68 77.57 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.76 -31.07 70.71 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.556 -1.34 . . . . 0.0 113.28 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.676 HG11 HD11 ' A' ' 48' ' ' ILE . 93.6 t -66.34 -65.3 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 123.961 0.904 . . . . 0.0 109.613 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.27 -30.58 62.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.47 -57.21 13.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 126.121 1.768 . . . . 0.0 110.421 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -49.04 68.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.275 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.19 -38.41 70.92 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.4 m-85 -70.24 -50.53 38.84 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.722 HD22 HG13 ' A' ' 30' ' ' ILE . 4.8 mp -69.02 -22.78 64.04 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.545 -0.722 . . . . 0.0 112.846 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.428 HD11 ' CE3' ' A' ' 37' ' ' TRP . 1.7 mt -55.81 -29.99 60.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.459 1.504 . . . . 0.0 113.053 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -25.83 13.64 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.055 1.342 . . . . 0.0 113.362 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.64 14.31 82.18 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.747 1.165 . . . . 0.0 114.47 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.71 166.63 30.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.196 1.798 . . . . 0.0 111.235 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -28.29 69.66 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.73 71.3 4.21 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.642 1.977 . . . . 0.0 111.405 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.891 HD12 HD22 ' A' ' 80' ' ' LEU . 31.0 mt -71.55 150.51 44.69 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.226 -0.922 . . . . 0.0 112.164 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.7 m -64.15 153.7 36.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.049 0.54 . . . . 0.0 110.002 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.22 -41.76 60.51 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.27 0.628 . . . . 0.0 112.294 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.14 52.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.171 0.891 . . . . 0.0 113.465 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.77 -44.79 76.62 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.029 1.415 . . . . 0.0 111.328 175.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.57 -34.91 27.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.726 1.21 . . . . 0.0 112.995 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -59.54 4.28 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.675 1.59 . . . . 0.0 112.844 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.0 ttm -76.36 -36.8 57.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.236 0.471 . . . . 0.0 112.092 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.891 HD22 HD12 ' A' ' 72' ' ' LEU . 5.3 tp -52.19 -48.48 64.99 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.936 0.894 . . . . 0.0 111.025 175.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.23 -33.73 54.11 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.498 1.045 . . . . 0.0 112.821 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -52.54 10.25 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.377 1.071 . . . . 0.0 110.927 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.07 71.3 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.41 -55.85 23.82 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.444 2.298 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -19.44 57.65 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.638 0.775 . . . . 0.0 112.775 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.1 mt -92.23 -38.96 11.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.377 1.471 . . . . 0.0 112.683 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 106' ' ' LEU . 14.9 tp -50.23 -57.43 7.82 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.839 1.256 . . . . 0.0 110.715 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -14.22 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -44.56 79.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.305 1.842 . . . . 0.0 112.225 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.3 -48.83 10.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.869 0.843 . . . . 0.0 110.051 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 21' ' ' VAL . 89.6 mt -62.19 -19.7 63.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 113.097 177.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.85 1.84 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.82 2.448 . . . . 0.0 113.672 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -67.29 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.235 1.414 . . . . 0.0 111.806 176.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.662 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -69.25 -22.36 63.84 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -46.45 60.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.474 1.109 . . . . 0.0 111.116 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 46.46 30.59 1.11 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.857 1.663 . . . . 0.0 114.146 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -167.07 1.43 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.077 2.151 . . . . 0.0 111.955 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.3 m -63.04 156.2 25.47 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.365 1.066 . . . . 0.0 111.379 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -55.53 -27.37 48.46 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.321 -0.862 . . . . 0.0 112.907 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -53.47 -23.5 10.36 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.409 1.484 . . . . 0.0 112.774 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.55 -59.89 4.5 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.106 1.321 . . . . 0.0 109.709 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -77.83 -40.5 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.82 0.848 . . . . 0.0 111.775 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.51 -46.84 80.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.685 0.794 . . . . 0.0 111.429 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.1 m -74.56 -33.09 62.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.946 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -25.24 18.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.863 1.665 . . . . 0.0 112.786 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 87' ' ' LEU . 85.3 mt -55.77 -32.25 63.3 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.494 -0.754 . . . . 0.0 111.622 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -61.92 -29.83 70.48 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.136 0.974 . . . . 0.0 113.605 176.76 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.66 -29.19 18.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.762 2.025 . . . . 0.0 112.103 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 25' ' ' LEU . 64.9 mt -75.75 -63.87 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.318 1.447 . . . . 0.0 110.496 177.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.703 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.21 5.13 35.63 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.343 1.857 . . . . 0.0 112.884 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.5 t30 54.48 47.07 23.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.313 2.245 . . . . 0.0 113.691 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mt -84.18 -27.23 28.21 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.272 1.429 . . . . 0.0 111.975 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB2' ' HG3' ' A' ' 107' ' ' LYS . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.375 1.87 . . . . 0.0 112.821 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -128.38 114.14 16.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.227 1.411 . . . . 0.0 111.016 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -117.4 134.63 54.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.124 1.77 . . . . 0.0 111.098 177.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.9 mtm -145.89 137.67 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.987 2.115 . . . . 0.0 110.432 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.13 -97.09 0.15 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.111 1.338 . . . . 0.0 112.274 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -81.8 168.0 18.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.762 1.225 . . . . 0.0 112.617 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 t -63.08 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.991 1.316 . . . . 0.0 112.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.36 -21.8 3.81 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.962 1.744 . . . . 0.0 114.446 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.11 -175.36 3.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.765 1.626 . . . . 0.0 111.085 174.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -87.22 0.64 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.435 1.894 . . . . 0.0 109.14 175.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -137.73 -31.52 0.78 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.347 1.459 . . . . 0.0 113.168 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -61.28 107.81 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.561 1.545 . . . . 0.0 112.381 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.01 175.44 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.306 1.842 . . . . 0.0 112.4 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.6 p -115.81 179.29 4.02 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.54 2.336 . . . . 0.0 111.009 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.49 -25.83 7.25 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -56.86 -56.23 24.32 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.74 1.155 . . . . 0.0 112.999 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.36 89.42 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.224 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.777 HG11 ' HB3' ' A' ' 94' ' ' ALA . 57.1 t -55.92 -31.64 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 119.179 0.9 . . . . 0.0 111.768 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -42.94 37.03 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.328 -1.483 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.45 -52.51 52.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.092 0.957 . . . . 0.0 112.782 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.66 HG11 HD21 ' A' ' 91' ' ' LEU . 9.7 p -52.81 -42.94 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.495 1.518 . . . . 0.0 111.889 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -57.23 -44.06 83.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.902 0.774 . . . . 0.0 111.628 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -60.3 -23.7 64.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.306 1.442 . . . . 0.0 113.89 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.22 -47.23 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.575 1.15 . . . . 0.0 110.455 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.51 -15.9 41.29 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 178.691 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -56.11 -24.94 43.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 114.144 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.56 121.74 28.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.041 1.336 . . . . 0.0 112.344 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -81.83 -0.68 44.54 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 0.0 114.18 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -87.75 17.89 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.656 1.983 . . . . 0.0 113.422 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 65' ' ' LEU . 2.6 pp -101.04 -4.43 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.807 2.043 . . . . 0.0 112.822 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -46.6 104.16 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.218 2.207 . . . . 0.0 112.825 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.46 129.86 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.581 1.152 . . . . 0.0 109.868 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.06 140.95 58.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.758 0.823 . . . . 0.0 111.97 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -59.89 -34.98 73.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.216 1.407 . . . . 0.0 114.627 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -61.74 -43.94 97.87 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.523 -0.736 . . . . 0.0 111.06 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.3 m -81.66 -23.72 36.74 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.458 1.103 . . . . 0.0 112.56 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -51.43 -45.04 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.751 1.22 . . . . 0.0 112.826 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -51.85 -33.88 38.23 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.149 0.98 . . . . 0.0 112.873 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -86.87 -40.28 15.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.269 1.828 . . . . 0.0 112.512 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -35.9 60.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.29 1.036 . . . . 0.0 112.117 175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.41 -42.32 63.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.046 0.939 . . . . 0.0 110.958 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -63.98 -58.84 5.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.603 1.561 . . . . 0.0 112.683 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.06 -50.49 66.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.365 0.53 . . . . 0.0 110.764 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.658 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.7 m-30 -59.81 -37.48 79.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.997 0.919 . . . . 0.0 113.157 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mtt -57.91 -31.69 67.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.737 1.153 . . . . 0.0 112.359 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -80.92 -34.98 32.98 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.274 -0.892 . . . . 0.0 111.512 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -15.65 29.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.284 -0.885 . . . . 0.0 113.064 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -72.31 -25.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.627 1.103 . . . . 0.0 112.619 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.01 -26.42 5.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.502 1.521 . . . . 0.0 114.024 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -28.79 8.66 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.034 1.333 . . . . 0.0 112.112 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 141.39 31.02 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 124.812 1.196 . . . . 0.0 110.815 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.46 176.43 8.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.16 -1.02 . . . . 0.0 112.105 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.36 -49.9 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.707 1.603 . . . . 0.0 112.225 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -58.59 -26.77 63.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.761 1.224 . . . . 0.0 112.842 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -86.74 -46.02 10.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.922 1.289 . . . . 0.0 113.3 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -50.75 -48.89 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 121.071 1.759 . . . . 0.0 111.367 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.544 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.6 -38.5 84.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 176.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.31 -45.88 86.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.756 0.707 . . . . 0.0 110.624 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 48' ' ' ILE . 76.9 t -52.52 -64.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.685 1.194 . . . . 0.0 111.36 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.86 -35.21 68.62 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -60.48 -54.34 46.71 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.391 1.477 . . . . 0.0 109.803 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.49 -52.65 36.33 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.154 0.581 . . . . 0.0 110.159 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.68 -39.62 71.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 175.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.25 -50.59 63.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.926 -1.109 . . . . 0.0 113.517 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 30' ' ' ILE . 6.7 mp -68.62 -27.06 65.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.093 0.86 . . . . 0.0 112.689 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.58 -31.48 68.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.183 1.393 . . . . 0.0 113.116 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -30.4 10.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.577 1.551 . . . . 0.0 112.429 177.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.73 21.57 69.3 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.527 1.06 . . . . 0.0 114.27 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.93 163.95 31.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.749 1.62 . . . . 0.0 110.983 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.19 -37.17 72.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.188 0.995 . . . . 0.0 112.854 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.46 81.0 5.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.205 1.402 . . . . 0.0 109.989 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 80' ' ' LEU . 33.4 mt -62.96 162.27 11.59 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.115 0.566 . . . . 0.0 111.61 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 m -59.91 147.26 39.26 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.666 -0.646 . . . . 0.0 110.494 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -49.59 -43.55 46.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.991 0.917 . . . . 0.0 112.037 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.11 99.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.404 1.002 . . . . 0.0 114.515 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.69 -44.92 65.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.545 1.173 . . . . 0.0 111.035 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -51.76 -31.19 25.72 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.241 1.417 . . . . 0.0 112.825 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -53.72 -59.52 4.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.782 1.633 . . . . 0.0 112.521 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttm -76.15 -35.32 59.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.897 0.879 . . . . 0.0 111.895 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.73 HD22 HD12 ' A' ' 72' ' ' LEU . 4.1 tp -55.32 -47.62 75.38 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.959 -0.543 . . . . 0.0 111.446 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -53.49 -34.19 57.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.209 0.913 . . . . 0.0 112.359 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -72.73 -54.42 9.0 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.925 1.29 . . . . 0.0 110.54 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.2 69.46 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 80' ' ' LEU . 14.8 mmm-85 -61.5 -49.44 76.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.556 1.942 . . . . 0.0 111.371 174.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -63.02 -22.74 67.06 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.25 -35.94 13.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.034 2.134 . . . . 0.0 113.546 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD21 HD21 ' A' ' 106' ' ' LEU . 21.4 tp -50.44 -58.1 6.51 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.78 1.632 . . . . 0.0 109.778 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -20.17 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.831 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -55.93 26.13 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -177.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.06 -46.52 77.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.886 1.274 . . . . 0.0 111.27 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.66 HD21 HG11 ' A' ' 21' ' ' VAL . 88.9 mt -69.0 -18.08 64.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.5 t -47.11 -31.76 3.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.724 2.409 . . . . 0.0 113.192 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -70.19 0.12 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.199 1.4 . . . . 0.0 112.578 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.777 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.69 -17.58 60.65 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.79 -46.83 42.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.166 1.386 . . . . 0.0 111.529 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 t70 48.55 28.13 1.66 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 126.572 1.949 . . . . 0.0 114.194 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.48 -166.97 1.91 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 111.902 -169.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -69.04 159.97 31.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.722 1.209 . . . . 0.0 112.051 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.46 -27.59 57.31 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.034 -1.041 . . . . 0.0 112.976 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -23.99 16.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.975 1.31 . . . . 0.0 112.302 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -59.81 4.46 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.414 1.461 . . . . 0.0 109.039 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 mt -77.9 -41.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.399 1.08 . . . . 0.0 111.934 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.8 -46.35 87.78 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.818 0.847 . . . . 0.0 111.779 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -74.8 -32.18 61.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.693 0.797 . . . . 0.0 112.56 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -25.83 12.14 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.107 1.322 . . . . 0.0 113.033 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 62.2 mt -52.75 -41.31 63.9 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.984 -1.073 . . . . 0.0 113.332 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.73 -22.55 66.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -29.6 17.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.887 2.475 . . . . 0.0 112.187 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.746 HG21 HD12 ' A' ' 25' ' ' LEU . 16.4 mt -83.78 -66.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.69 1.196 . . . . 0.0 111.038 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.1 m-85 -76.81 -14.27 59.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 60.01 71.66 0.56 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.757 2.423 . . . . 0.0 113.349 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -71.63 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.608 1.163 . . . . 0.0 111.531 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 128.084 2.554 . . . . 0.0 115.755 -176.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -142.5 46.21 1.6 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.686 1.594 . . . . 0.0 112.5 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -88.06 134.1 33.82 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.814 1.246 . . . . 0.0 111.65 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 mtt -121.49 153.14 38.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.401 1.881 . . . . 0.0 110.741 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.23 -94.89 0.1 OUTLIER Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.425 1.012 . . . . 0.0 111.353 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -145.0 -73.22 0.25 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.8 1.24 . . . . 0.0 112.171 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 t -87.99 -37.47 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 118.984 0.811 . . . . 0.0 112.703 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.88 -8.78 6.08 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.5 1.524 . . . . 0.0 114.947 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.07 177.22 6.49 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.692 1.997 . . . . 0.0 111.585 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -109.09 -61.2 1.65 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.203 1.801 . . . . 0.0 112.085 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.22 -29.78 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.42 1.088 . . . . 0.0 112.639 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 tp -57.2 106.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.748 1.619 . . . . 0.0 112.76 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -142.81 177.75 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 112.618 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -118.83 178.23 4.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.535 1.934 . . . . 0.0 110.413 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 1.6 tm-20 -50.96 -29.38 12.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.154 0.982 . . . . 0.0 113.534 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.33 -54.5 46.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.37 1.068 . . . . 0.0 112.721 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.81 -33.49 76.11 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.674 1.19 . . . . 0.0 111.594 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 94' ' ' ALA . 85.8 t -60.39 -34.49 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.77 0.714 . . . . 0.0 111.262 174.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.99 -31.33 64.44 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.249 -1.532 . . . . 0.0 112.736 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -75.44 -52.42 10.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.106 0.962 . . . . 0.0 112.528 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 91' ' ' LEU . 14.9 p -52.79 -39.77 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.43 1.092 . . . . 0.0 112.289 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.6 m-85 -60.47 -27.51 67.61 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 -24.08 39.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.324 1.45 . . . . 0.0 113.452 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.61 -53.11 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.64 1.176 . . . . 0.0 110.594 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.19 -10.18 59.75 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.682 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -26.15 59.79 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.84 146.83 45.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.268 1.027 . . . . 0.0 112.725 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HA ' HD21 ' A' ' 65' ' ' LEU . 5.5 mmmt -109.8 -5.72 15.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.012 1.325 . . . . 0.0 114.137 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -93.05 6.24 48.63 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.479 1.912 . . . . 0.0 113.024 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.71 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -73.74 -9.43 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.783 2.033 . . . . 0.0 113.597 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -48.49 106.83 0.11 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.72 2.008 . . . . 0.0 113.072 -172.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.09 135.09 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.766 0.827 . . . . 0.0 110.6 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 143.62 52.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.043 1.337 . . . . 0.0 112.22 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 m -60.11 -42.5 94.84 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.5 m -59.79 -40.17 87.39 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.379 -0.826 . . . . 0.0 111.501 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -81.6 -26.14 35.15 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.576 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -56.11 -48.03 76.95 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.373 1.469 . . . . 0.0 112.276 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -52.33 -34.46 47.27 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.651 0.781 . . . . 0.0 112.166 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -82.09 -41.7 20.19 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.37 1.868 . . . . 0.0 111.573 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.08 64.6 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.512 1.525 . . . . 0.0 113.026 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.6 -42.09 67.3 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.602 0.761 . . . . 0.0 111.079 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -65.49 -58.03 6.82 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.458 1.503 . . . . 0.0 112.442 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -52.62 -52.04 57.29 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.577 0.626 . . . . 0.0 111.133 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.647 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.1 m-30 -59.46 -37.42 78.11 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.382 -0.818 . . . . 0.0 113.192 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -30.89 67.27 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.479 1.036 . . . . 0.0 112.849 174.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.35 -41.22 28.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 111.032 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -54.24 -18.46 3.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.655 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.1 -26.88 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.845 1.258 . . . . 0.0 112.574 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -28.5 4.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.327 1.451 . . . . 0.0 113.362 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -107.05 -24.57 11.93 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.448 1.099 . . . . 0.0 112.366 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.72 157.51 50.59 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 124.197 0.903 . . . . 0.0 111.867 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.32 177.68 6.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.139 -1.03 . . . . 0.0 112.484 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -53.16 -46.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.302 1.041 . . . . 0.0 111.626 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.53 -38.31 89.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.982 0.913 . . . . 0.0 110.58 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.7 mt-10 -72.92 -49.32 30.29 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.2 mm -48.2 -50.35 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.928 1.694 . . . . 0.0 111.685 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.45 96.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -63.46 -40.87 98.27 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.092 -1.005 . . . . 0.0 111.996 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 48' ' ' ILE . 86.0 t -56.3 -63.38 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.526 1.13 . . . . 0.0 110.454 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 179.261 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -61.07 -54.46 44.42 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.834 1.654 . . . . 0.0 110.339 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -49.75 -53.41 25.13 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.94 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.21 -41.01 83.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -50.6 68.23 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.189 -0.945 . . . . 0.0 113.024 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD22 HG13 ' A' ' 30' ' ' ILE . 5.7 mp -70.67 -27.14 63.8 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 -36.28 71.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.461 1.104 . . . . 0.0 111.797 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.3 24.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.8 0.84 . . . . 0.0 111.942 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.65 19.63 79.25 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.771 1.176 . . . . 0.0 114.366 -175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.58 169.5 23.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.088 1.355 . . . . 0.0 111.864 -178.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -69.29 -40.27 77.82 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.661 1.184 . . . . 0.0 113.349 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.54 87.66 6.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.551 1.541 . . . . 0.0 110.894 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.805 HD12 HD22 ' A' ' 80' ' ' LEU . 14.9 mt -70.94 161.8 30.44 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.243 0.544 . . . . 0.0 112.069 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.8 m -64.64 151.44 44.82 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.773 0.429 . . . . 0.0 110.218 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -51.77 -39.79 59.21 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.562 0.745 . . . . 0.0 111.998 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.11 -52.78 50.73 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 123.941 0.782 . . . . 0.0 112.999 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.97 -40.12 90.98 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.659 1.23 . . . . 0.0 112.006 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -51.2 -31.56 20.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.775 1.23 . . . . 0.0 112.613 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -55.69 -58.95 5.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.672 1.589 . . . . 0.0 112.77 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -76.35 -38.71 55.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.628 0.771 . . . . 0.0 112.594 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.805 HD22 HD12 ' A' ' 72' ' ' LEU . 3.8 tp -54.69 -47.54 73.54 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.557 0.743 . . . . 0.0 111.595 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.52 -38.78 21.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.13 1.372 . . . . 0.0 112.766 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -54.38 9.14 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.455 1.102 . . . . 0.0 110.921 175.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.24 64.63 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.428 HH11 HD21 ' A' ' 80' ' ' LEU . 16.9 mmm-85 -64.04 -54.52 32.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.126 2.17 . . . . 0.0 111.084 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -60.82 -22.56 64.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.314 1.046 . . . . 0.0 112.676 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -92.41 -35.1 13.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.228 1.411 . . . . 0.0 113.291 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD21 HD21 ' A' ' 106' ' ' LEU . 12.6 tp -52.4 -58.04 7.96 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.826 1.651 . . . . 0.0 110.067 176.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -21.99 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.586 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -63.53 -53.57 49.83 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.154 1.382 . . . . 0.0 112.362 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 53' ' ' VAL . 3.5 pt-20 -66.4 -46.14 77.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.915 0.886 . . . . 0.0 111.569 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 21' ' ' VAL . 88.0 mt -69.09 -18.05 63.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 113.658 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 t -46.33 -33.86 4.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.959 2.504 . . . . 0.0 113.283 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -70.45 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.607 1.563 . . . . 0.0 112.58 175.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.42 -18.71 61.11 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.09 -46.63 44.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 111.293 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.9 t0 46.06 33.27 1.64 Allowed 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.012 1.725 . . . . 0.0 113.802 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.23 -167.49 1.48 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.406 2.283 . . . . 0.0 111.811 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.5 m -67.39 158.22 32.21 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.79 1.236 . . . . 0.0 111.648 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -54.28 -29.45 47.31 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.212 -0.93 . . . . 0.0 112.751 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -27.67 8.56 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.399 1.48 . . . . 0.0 112.344 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.1 -59.14 5.05 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.535 1.516 . . . . 0.0 110.252 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.13 -42.28 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.72 0.808 . . . . 0.0 111.788 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.95 -46.89 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.483 0.713 . . . . 0.0 111.44 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -74.74 -32.56 62.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.883 -1.056 . . . . 0.0 112.78 175.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.49 -25.74 17.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.3 1.409 . . . . 0.0 112.774 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 86.7 mt -53.24 -36.91 61.6 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.279 0.945 . . . . 0.0 111.993 174.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -63.49 -34.41 77.71 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -81.55 -29.17 33.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.333 1.853 . . . . 0.0 112.525 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 25' ' ' LEU . 61.7 mt -77.61 -62.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.021 1.328 . . . . 0.0 109.961 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.28 8.41 21.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.046 1.738 . . . . 0.0 113.3 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 48.24 56.55 7.25 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.504 2.322 . . . . 0.0 113.374 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 mt -94.1 -35.78 12.39 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.29 1.436 . . . . 0.0 112.797 -175.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.737 2.015 . . . . 0.0 111.471 -179.198 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -142.1 -34.5 0.46 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.267 1.427 . . . . 0.0 112.856 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 tp -59.82 105.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.112 1.365 . . . . 0.0 112.179 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.1 176.58 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.949 1.7 . . . . 0.0 112.102 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -119.67 179.42 4.24 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.187 2.195 . . . . 0.0 110.896 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -27.35 7.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -53.73 -60.59 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.085 1.754 . . . . 0.0 112.373 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -40.88 89.02 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.22 1.008 . . . . 0.0 110.536 175.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 91' ' ' LEU . 94.0 t -54.67 -49.24 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.634 1.106 . . . . 0.0 111.082 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -55.88 -43.19 76.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.881 0.873 . . . . 0.0 111.895 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -64.37 -49.84 70.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.092 0.957 . . . . 0.0 111.574 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 24' ' ' ILE . 56.1 t -52.0 -52.76 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.422 1.489 . . . . 0.0 111.076 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.02 -42.51 63.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.624 0.37 . . . . 0.0 111.499 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -25.01 63.27 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.974 1.31 . . . . 0.0 114.497 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 21' ' ' VAL . 23.6 mt -73.14 -45.29 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.716 1.606 . . . . 0.0 110.723 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -88.76 -12.7 41.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -30.17 41.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.014 1.726 . . . . 0.0 113.279 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.81 143.03 38.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.346 1.058 . . . . 0.0 112.748 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -105.84 -8.79 17.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.351 1.46 . . . . 0.0 113.923 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.3 6.78 28.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.896 1.679 . . . . 0.0 112.893 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 65' ' ' LEU . 2.3 pp -78.82 -11.18 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.319 1.848 . . . . 0.0 113.55 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -40.68 108.9 0.1 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.287 2.235 . . . . 0.0 112.117 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.3 p -72.91 151.13 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.41 0.684 . . . . 0.0 111.568 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.86 149.44 47.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.281 1.033 . . . . 0.0 112.165 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 p -66.4 -44.61 82.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.829 1.251 . . . . 0.0 114.057 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -59.25 -40.49 86.14 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.19 -0.944 . . . . 0.0 111.363 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.4 m -79.09 -27.18 42.93 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 112.69 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -52.56 -43.93 65.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.986 1.314 . . . . 0.0 112.607 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -51.69 -44.08 62.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.196 0.999 . . . . 0.0 112.577 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -79.47 -38.7 33.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.937 1.295 . . . . 0.0 111.858 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' A' ' 32' ' ' VAL . 6.2 mmt85 -54.63 -35.7 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.756 1.223 . . . . 0.0 112.289 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -53.62 -43.36 68.62 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.606 0.762 . . . . 0.0 110.668 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -63.39 -59.14 5.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.534 1.534 . . . . 0.0 112.762 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.13 -52.18 59.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.397 0.544 . . . . 0.0 111.001 176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.629 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.6 m-30 -58.56 -37.87 76.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.069 0.948 . . . . 0.0 112.788 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.54 -33.22 67.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.699 1.136 . . . . 0.0 112.482 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -80.43 -37.23 32.45 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.275 -0.891 . . . . 0.0 111.191 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -17.82 2.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.697 HD11 HG11 ' A' ' 59' ' ' VAL . 4.3 mm -74.42 -18.86 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.651 1.181 . . . . 0.0 113.049 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -121.59 -36.11 3.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.737 2.015 . . . . 0.0 112.216 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 t -113.64 -20.78 11.07 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.077 1.351 . . . . 0.0 112.993 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.15 143.73 32.39 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 122.441 1.023 . . . . 0.0 111.299 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.3 m -77.79 170.41 16.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.868 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.4 p -47.6 -49.75 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.415 1.886 . . . . 0.0 113.617 174.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -60.26 -27.74 67.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.432 1.093 . . . . 0.0 112.587 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.5 mt-10 -83.38 -47.99 10.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.282 1.433 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -48.7 -48.57 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.505 1.502 . . . . 0.0 111.782 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.86 -42.54 98.05 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.23 -38.71 90.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.599 0.76 . . . . 0.0 111.86 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.697 HG11 HD11 ' A' ' 48' ' ' ILE . 95.2 t -59.02 -67.64 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.067 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -53.93 -35.38 61.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -62.45 -53.34 56.25 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.758 1.623 . . . . 0.0 111.005 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.02 -53.54 40.57 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 119.021 -0.514 . . . . 0.0 110.182 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mp -54.87 -38.78 67.96 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -50.05 68.52 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 30' ' ' ILE . 26.9 mt -71.19 -26.4 62.94 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.64 -34.69 71.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 113.005 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -29.48 21.38 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.655 1.182 . . . . 0.0 111.99 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.68 20.47 72.13 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.31 0.957 . . . . 0.0 113.671 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.93 173.45 13.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.072 1.749 . . . . 0.0 111.329 -175.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -60.43 2.3 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.933 1.293 . . . . 0.0 112.398 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.88 86.95 3.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.154 0.982 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HD22 ' A' ' 80' ' ' LEU . 23.4 mt -60.1 154.99 18.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.957 0.503 . . . . 0.0 111.678 -177.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -66.23 163.11 18.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.064 -0.397 . . . . 0.0 110.641 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.65 -38.96 61.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.365 0.666 . . . . 0.0 111.92 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.52 47.48 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.981 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -67.98 -41.43 82.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.699 1.749 . . . . 0.0 111.126 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -53.87 -33.97 57.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.563 1.145 . . . . 0.0 112.952 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -59.49 4.55 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.971 1.259 . . . . 0.0 113.096 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.9 ttm -76.38 -39.02 54.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.201 0.601 . . . . 0.0 112.181 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.823 HD22 HD12 ' A' ' 72' ' ' LEU . 2.9 tp -56.13 -44.16 78.89 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -49.32 -39.81 32.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.948 1.299 . . . . 0.0 112.567 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -73.97 -54.06 8.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.875 0.87 . . . . 0.0 111.091 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.34 63.76 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.475 HH11 HD21 ' A' ' 80' ' ' LEU . 14.4 mmm-85 -62.31 -53.73 50.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.908 2.083 . . . . 0.0 111.434 174.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -59.97 -22.42 62.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.459 0.704 . . . . 0.0 112.778 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.48 -34.81 13.95 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.686 1.594 . . . . 0.0 113.311 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 106' ' ' LEU . 16.5 tp -53.18 -59.82 4.08 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.622 1.569 . . . . 0.0 109.645 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -19.25 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -67.29 -51.28 54.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.971 1.708 . . . . 0.0 112.423 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 53' ' ' VAL . 2.3 pt-20 -70.47 -47.31 61.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.693 0.797 . . . . 0.0 110.764 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.777 HD22 HG13 ' A' ' 18' ' ' VAL . 69.7 mt -68.06 -16.49 64.05 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.41 1.084 . . . . 0.0 113.073 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.4 t -44.62 -37.06 3.37 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.12 2.568 . . . . 0.0 113.485 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.97 15.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.527 1.131 . . . . 0.0 112.188 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -76.28 -20.18 57.59 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -45.86 77.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.322 1.049 . . . . 0.0 111.884 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.66 37.67 3.48 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.46 1.904 . . . . 0.0 113.291 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -164.66 0.5 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.354 1.862 . . . . 0.0 112.213 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -65.39 160.75 21.24 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.101 1.361 . . . . 0.0 111.632 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -55.61 -28.11 53.34 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.021 -1.05 . . . . 0.0 113.082 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -27.58 13.39 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.831 1.653 . . . . 0.0 112.268 175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.93 -52.92 62.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.904 1.229 . . . . 0.0 111.5 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.18 -46.83 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.577 1.151 . . . . 0.0 112.293 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -56.3 -46.44 79.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.856 0.862 . . . . 0.0 111.734 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -73.88 -36.03 64.76 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.282 1.033 . . . . 0.0 112.121 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -56.19 -23.05 32.92 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.677 1.126 . . . . 0.0 112.758 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 87' ' ' LEU . 96.2 mt -53.17 -37.99 62.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.313 0.96 . . . . 0.0 111.406 175.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -61.73 -33.2 73.63 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.36 -25.53 39.13 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.781 2.033 . . . . 0.0 112.498 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 25' ' ' LEU . 18.9 mt -87.4 -61.15 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.762 1.225 . . . . 0.0 110.897 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.1 m-85 -80.45 2.41 25.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.56 1.544 . . . . 0.0 112.98 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.531 2.332 . . . . 0.0 113.393 -179.722 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 -36.21 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.988 1.315 . . . . 0.0 112.793 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.42 127.86 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.766 0.826 . . . . 0.0 110.527 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -148.25 175.3 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 126.921 2.088 . . . . 0.0 112.192 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -109.55 176.86 4.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.655 1.982 . . . . 0.0 110.583 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -23.52 7.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.837 1.255 . . . . 0.0 114.168 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.0 -54.02 51.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.108 1.363 . . . . 0.0 112.288 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -42.4 94.72 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.045 174.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 91' ' ' LEU . 46.4 t -55.0 -28.5 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.646 0.591 . . . . 0.0 110.952 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.3 -48.78 13.52 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.621 -1.3 . . . . 0.0 111.475 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.12 -50.56 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.06 0.944 . . . . 0.0 112.549 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.799 HG11 HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.16 -46.96 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.86 1.264 . . . . 0.0 112.155 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -56.89 -40.26 75.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.596 0.635 . . . . 0.0 111.061 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -29.33 70.44 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.077 1.351 . . . . 0.0 113.934 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.68 -56.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.996 0.918 . . . . 0.0 110.123 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -73.24 -15.06 61.44 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -28.42 39.69 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.858 1.263 . . . . 0.0 114.145 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.79 139.0 41.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.366 1.066 . . . . 0.0 112.897 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.16 -7.5 21.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 114.173 -177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -89.05 3.73 50.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.847 1.659 . . . . 0.0 113.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.63 -14.53 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.21 1.804 . . . . 0.0 113.949 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -52.39 104.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.145 2.178 . . . . 0.0 113.061 -171.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.644 HG11 ' HG3' ' A' ' 40' ' ' ARG . 58.3 t -70.52 143.71 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.703 0.801 . . . . 0.0 111.175 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 147.87 39.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.357 1.463 . . . . 0.0 113.475 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -36.16 82.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.984 1.314 . . . . 0.0 114.471 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.92 -43.36 98.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.063 0.945 . . . . 0.0 111.329 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -80.24 -25.23 39.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.726 1.21 . . . . 0.0 112.559 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -53.56 -43.4 68.42 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.79 1.236 . . . . 0.0 113.006 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -50.92 -42.14 59.27 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.845 0.858 . . . . 0.0 113.173 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.94 -38.92 26.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.777 1.231 . . . . 0.0 111.83 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.45 -37.24 67.47 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.016 1.326 . . . . 0.0 112.443 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.85 -42.23 62.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.666 0.786 . . . . 0.0 110.386 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.39 -56.39 11.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.778 1.231 . . . . 0.0 113.412 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.07 -49.39 73.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.027 0.83 . . . . 0.0 111.654 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.679 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.1 m-30 -60.18 -36.09 76.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.872 0.869 . . . . 0.0 112.626 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -32.73 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.61 1.095 . . . . 0.0 112.081 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.74 -36.74 36.87 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.059 -1.026 . . . . 0.0 111.452 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -54.2 -22.41 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.712 HD11 HG11 ' A' ' 59' ' ' VAL . 5.3 mm -67.27 -19.43 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.211 1.404 . . . . 0.0 112.565 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -122.63 -34.14 3.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.682 1.993 . . . . 0.0 112.464 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.35 -26.19 9.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.594 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.28 144.65 32.2 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 125.368 1.461 . . . . 0.0 111.352 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -84.4 -177.25 6.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.325 -0.938 . . . . 0.0 113.006 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.34 -52.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.844 1.658 . . . . 0.0 113.925 175.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -60.77 -28.05 68.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.813 1.245 . . . . 0.0 112.203 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -85.87 -50.7 6.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.217 1.407 . . . . 0.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.0 -49.21 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.527 1.531 . . . . 0.0 111.156 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -62.96 -33.37 75.24 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.49 -33.47 64.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.797 -1.189 . . . . 0.0 111.855 174.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 48' ' ' ILE . 98.4 t -62.09 -62.88 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.649 1.18 . . . . 0.0 111.118 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.28 -32.75 71.49 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -177.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -59.03 -54.89 41.98 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 126.628 1.971 . . . . 0.0 110.48 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -53.05 52.45 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.487 0.492 . . . . 0.0 110.73 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.4 -47.87 66.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.837 1.255 . . . . 0.0 112.661 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 80' ' ' LEU . 1.6 m-85 -59.86 -50.6 73.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -69.39 -29.49 67.25 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.06 -26.5 64.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.702 1.201 . . . . 0.0 112.414 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -106.17 -32.27 8.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.767 1.227 . . . . 0.0 113.288 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 23.15 76.74 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.804 1.192 . . . . 0.0 113.854 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.25 157.3 47.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.379 1.472 . . . . 0.0 112.716 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -63.17 -34.93 78.7 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.62 1.968 . . . . 0.0 114.741 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.92 109.59 14.81 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.003 2.121 . . . . 0.0 109.028 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 64' ' ' TYR . 16.9 mt -72.07 172.89 9.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.517 0.727 . . . . 0.0 112.297 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.38 162.97 5.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.1 0.56 . . . . 0.0 112.042 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -50.22 -45.08 53.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.778 0.831 . . . . 0.0 112.449 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.0 -52.72 26.63 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.012 0.815 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.21 -37.63 83.69 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.072 -1.252 . . . . 0.0 112.432 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.93 64.06 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.696 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -56.31 22.13 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.796 1.18 . . . . 0.0 111.785 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.0 ttm -76.4 -37.75 56.68 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.963 0.505 . . . . 0.0 111.95 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 64' ' ' TYR . 6.7 tp -56.04 -49.09 74.71 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.383 0.673 . . . . 0.0 111.782 176.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.24 -39.74 57.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.772 1.229 . . . . 0.0 112.415 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -74.27 -49.43 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.091 0.956 . . . . 0.0 111.118 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.27 75.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.237 1.015 . . . . 0.0 113.411 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.47 69.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.281 2.232 . . . . 0.0 110.989 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 t -61.01 -21.39 63.53 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.361 1.064 . . . . 0.0 112.749 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.4 -37.4 12.6 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 113.48 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' CD2' HD21 ' A' ' 106' ' ' LEU . 17.0 tp -48.69 -58.62 4.47 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.8 1.24 . . . . 0.0 110.924 175.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -70.2 -16.03 19.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -179.171 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -67.27 -49.45 64.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.344 1.858 . . . . 0.0 111.712 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.45 -48.37 34.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.55 0.69 . . . . 0.0 110.147 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.799 HD21 HG11 ' A' ' 21' ' ' VAL . 91.5 mt -64.71 -15.5 61.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.468 1.507 . . . . 0.0 113.502 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -23.03 6.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.659 1.984 . . . . 0.0 114.115 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -69.09 0.26 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.832 1.253 . . . . 0.0 111.868 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.58 -10.95 60.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -41.2 42.97 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.668 1.187 . . . . 0.0 112.393 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 42.81 32.54 0.4 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.626 2.371 . . . . 0.0 114.207 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -167.55 -165.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.657 2.383 . . . . 0.0 111.633 -167.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 m -73.04 166.29 23.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.344 1.458 . . . . 0.0 112.665 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -58.91 -28.4 66.16 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.686 -1.259 . . . . 0.0 112.923 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -24.62 18.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.264 1.426 . . . . 0.0 112.575 175.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.02 -59.69 5.06 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 121.055 1.752 . . . . 0.0 110.293 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.413 ' HB ' HG22 ' A' ' 88' ' ' ILE . 5.8 mt -76.19 -39.58 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.901 -0.499 . . . . 0.0 111.421 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG3' HG21 ' A' ' 88' ' ' ILE . 32.9 mt-10 -60.69 -49.0 79.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.736 0.814 . . . . 0.0 112.364 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -74.44 -30.5 61.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -55.95 -21.97 23.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.027 1.285 . . . . 0.0 112.717 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 110' ' ' PHE . 76.0 mt -54.2 -35.49 62.42 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.989 0.916 . . . . 0.0 112.892 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -27.71 27.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.607 1.563 . . . . 0.0 112.219 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 25' ' ' LEU . 9.0 mt -86.49 -67.81 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.376 1.071 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.662 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -78.16 -10.5 59.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.781 1.233 . . . . 0.0 113.415 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 CA--C 1.548 0.87 0 C-N-CA 128.305 2.642 . . . . 0.0 113.794 179.418 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 120.461 0.172 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.65 -32.65 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.721 1.209 . . . . 0.0 112.464 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.19 107.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.068 1.347 . . . . 0.0 111.922 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.36 176.26 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.101 1.76 . . . . 0.0 112.229 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 177.67 4.66 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.756 2.023 . . . . 0.0 110.342 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.95 -30.26 5.75 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.891 1.277 . . . . 0.0 113.532 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -52.4 -57.63 9.23 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.168 1.387 . . . . 0.0 113.585 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.57 -42.59 88.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.287 174.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 HD22 ' A' ' 91' ' ' LEU . 47.8 t -54.47 -31.6 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.639 0.587 . . . . 0.0 110.684 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -50.16 16.95 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 120.563 -1.336 . . . . 0.0 111.779 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.65 -52.95 63.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.567 1.147 . . . . 0.0 112.271 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -55.91 -45.29 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.817 1.247 . . . . 0.0 111.587 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -56.86 -43.69 81.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.809 0.731 . . . . 0.0 110.63 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -25.47 66.52 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.17 -53.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 110.226 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.835 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -76.54 -15.5 59.85 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 179.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -28.97 38.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.304 1.442 . . . . 0.0 113.927 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.5 141.4 38.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.483 1.113 . . . . 0.0 112.81 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.93 -13.82 16.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.204 1.401 . . . . 0.0 113.548 -176.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -84.61 3.62 36.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.319 1.847 . . . . 0.0 113.355 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -70.93 -13.3 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.175 1.79 . . . . 0.0 113.975 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -44.71 106.15 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.091 2.157 . . . . 0.0 112.608 -176.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.6 p -69.32 154.8 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.648 0.779 . . . . 0.0 112.042 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.23 148.61 51.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.195 0.998 . . . . 0.0 112.378 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -66.72 -38.28 86.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.1 m -65.54 -45.21 84.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.095 0.958 . . . . 0.0 110.855 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.1 m -72.56 -26.12 61.61 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.464 1.106 . . . . 0.0 112.792 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -52.91 -42.64 65.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.378 1.071 . . . . 0.0 112.571 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.88 -37.31 68.66 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.429 -0.795 . . . . 0.0 112.939 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -44.05 20.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.403 1.481 . . . . 0.0 111.388 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.616 ' HG3' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -50.94 -32.18 20.03 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.037 1.335 . . . . 0.0 113.178 174.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.4 -39.68 70.47 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.763 0.425 . . . . 0.0 111.075 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -65.0 -64.5 0.85 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.761 1.624 . . . . 0.0 112.455 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -54.31 -40.61 68.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.904 0.775 . . . . 0.0 112.218 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.61 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.9 m-30 -66.93 -39.04 87.23 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.992 174.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.5 mtt -59.66 -33.06 71.06 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.79 1.177 . . . . 0.0 112.207 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.14 -33.61 38.41 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.259 -0.9 . . . . 0.0 111.47 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -58.19 -13.66 5.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 59' ' ' VAL . 7.9 mm -72.96 -33.85 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.953 1.301 . . . . 0.0 112.885 177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -28.56 6.73 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.862 1.265 . . . . 0.0 113.416 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.08 -33.62 10.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.977 1.711 . . . . 0.0 111.165 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.79 51.8 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-O 122.71 1.172 . . . . 0.0 112.867 -173.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -88.4 176.01 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.624 -1.288 . . . . 0.0 111.859 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.41 -49.21 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.029 1.732 . . . . 0.0 112.748 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -59.37 -31.9 69.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.8 mt-10 -82.45 -48.29 11.25 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.618 1.167 . . . . 0.0 112.688 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 mm -48.76 -50.32 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.923 1.289 . . . . 0.0 111.308 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.74 -33.68 76.19 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.99 -34.56 71.51 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.83 -1.169 . . . . 0.0 112.106 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 48' ' ' ILE . 78.3 t -60.84 -64.11 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.06 1.344 . . . . 0.0 110.65 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.85 -33.74 70.79 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -60.56 -55.75 29.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 125.907 1.683 . . . . 0.0 110.565 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -51.52 64.22 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 123.497 0.498 . . . . 0.0 110.444 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.22 -44.84 68.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.494 1.118 . . . . 0.0 112.73 175.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.1 m-85 -59.4 -50.62 73.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 175.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 30' ' ' ILE . 17.9 mt -72.47 -29.16 63.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.76 -36.87 75.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.545 1.538 . . . . 0.0 112.001 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -82.84 -29.09 29.7 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 175.186 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.07 16.1 72.58 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.763 1.173 . . . . 0.0 114.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -154.99 160.59 41.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.14 1.376 . . . . 0.0 111.821 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -63.14 -39.41 94.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.644 1.578 . . . . 0.0 114.171 174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.41 77.7 8.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -59.1 152.32 20.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.362 0.665 . . . . 0.0 112.588 -179.168 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.403 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 t -67.19 154.54 41.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 122.66 0.384 . . . . 0.0 110.404 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -51.01 -42.53 60.47 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.594 0.758 . . . . 0.0 112.357 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 -52.09 51.1 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.434 1.016 . . . . 0.0 113.477 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.34 -37.78 86.12 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.218 -1.166 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -57.22 -30.69 64.8 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.996 1.318 . . . . 0.0 112.615 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -57.79 -56.74 18.05 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.772 1.169 . . . . 0.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.35 -37.63 57.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.464 0.705 . . . . 0.0 112.072 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 72' ' ' LEU . 1.8 tp -57.29 -47.47 81.38 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.049 0.94 . . . . 0.0 111.679 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.38 -39.28 46.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.743 1.217 . . . . 0.0 112.753 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -53.22 13.37 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.946 0.898 . . . . 0.0 110.935 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.81 66.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.989 0.915 . . . . 0.0 113.395 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -63.98 -55.2 24.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.08 2.152 . . . . 0.0 110.951 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -60.73 -20.16 60.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.293 1.037 . . . . 0.0 112.695 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 mt -92.39 -40.63 10.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.362 1.465 . . . . 0.0 112.809 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.702 HD21 HD21 ' A' ' 106' ' ' LEU . 14.4 tp -47.61 -60.06 2.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.594 1.557 . . . . 0.0 110.215 176.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.421 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.3 -18.47 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.193 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -63.59 -45.11 91.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.089 1.756 . . . . 0.0 112.059 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.44 -48.92 11.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 122.115 0.96 . . . . 0.0 109.455 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 21' ' ' VAL . 78.7 mt -62.5 -19.14 63.28 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.426 1.891 . . . . 0.0 113.095 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -42.61 -38.28 1.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 128.025 2.53 . . . . 0.0 113.195 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -59.58 4.62 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.8 1.24 . . . . 0.0 112.374 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.655 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.58 -22.84 50.32 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -46.1 48.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.849 1.26 . . . . 0.0 111.101 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.3 t70 47.83 29.37 1.58 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.101 2.16 . . . . 0.0 114.111 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -166.14 1.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.819 2.448 . . . . 0.0 111.155 -169.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 m -66.46 161.63 22.37 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.987 1.315 . . . . 0.0 112.385 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -55.52 -28.04 52.4 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.893 -1.129 . . . . 0.0 113.249 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -29.35 12.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.978 1.711 . . . . 0.0 112.404 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.26 -53.15 59.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.81 1.186 . . . . 0.0 111.619 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.18 -46.28 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.506 1.123 . . . . 0.0 112.371 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HG3' HG21 ' A' ' 88' ' ' ILE . 14.5 mt-10 -54.31 -46.47 72.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.472 0.709 . . . . 0.0 111.23 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -33.91 62.81 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.33 -24.27 42.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.245 1.384 . . . . 0.0 112.289 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.704 HD22 ' CE2' ' A' ' 110' ' ' PHE . 93.5 mt -55.26 -35.69 65.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.007 0.821 . . . . 0.0 111.697 175.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.86 -32.42 72.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.95 0.9 . . . . 0.0 112.785 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -80.73 -33.71 34.98 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.415 1.486 . . . . 0.0 111.716 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 25' ' ' LEU . 14.2 mt -76.41 -63.0 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.125 0.97 . . . . 0.0 111.103 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.704 ' CE2' HD22 ' A' ' 106' ' ' LEU . 6.1 m-85 -80.27 -0.76 37.86 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.182 1.393 . . . . 0.0 113.247 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 128.28 2.632 . . . . 0.0 113.433 -177.811 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.02 -40.62 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.286 1.434 . . . . 0.0 112.163 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.09 129.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.211 0.604 . . . . 0.0 110.398 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.683 HG21 HG11 ' A' ' 53' ' ' VAL . 2.9 pp -145.79 176.43 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.288 1.835 . . . . 0.0 112.324 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -111.94 171.35 7.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.273 1.829 . . . . 0.0 110.572 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -51.18 -31.09 18.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.808 1.243 . . . . 0.0 113.561 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.26 -52.06 60.23 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.087 1.355 . . . . 0.0 112.689 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.62 -32.11 71.76 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.16 0.984 . . . . 0.0 110.62 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.837 HG13 HD22 ' A' ' 91' ' ' LEU . 45.2 t -60.64 -42.69 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.853 0.861 . . . . 0.0 109.872 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -66.51 -28.83 68.86 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.371 -1.456 . . . . 0.0 113.199 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -77.51 -55.71 5.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.181 0.993 . . . . 0.0 112.553 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 13.1 p -53.46 -38.78 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.276 1.031 . . . . 0.0 111.818 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.473 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -60.1 -29.38 68.56 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -79.3 -28.29 42.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.751 1.221 . . . . 0.0 112.807 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.66 -53.6 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.295 1.038 . . . . 0.0 110.766 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.97 -9.29 59.67 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -56.63 -27.14 57.73 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.97 145.66 42.36 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.377 1.071 . . . . 0.0 112.791 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.8 mmmm -110.54 -2.85 16.27 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.47 4.82 52.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.622 1.169 . . . . 0.0 113.061 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 65' ' ' LEU . 2.1 pp -74.86 -16.21 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.007 1.723 . . . . 0.0 113.846 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -47.19 116.99 1.56 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.474 1.91 . . . . 0.0 113.072 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.755 HG11 ' HG3' ' A' ' 40' ' ' ARG . 86.7 t -85.6 132.98 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.722 0.809 . . . . 0.0 110.667 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.89 147.63 18.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.398 1.479 . . . . 0.0 113.458 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -58.57 -36.32 73.76 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.244 1.418 . . . . 0.0 114.533 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 m -60.64 -45.21 94.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.835 1.254 . . . . 0.0 111.57 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.4 m -78.61 -28.16 45.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 111.774 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -56.58 -47.31 79.83 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.342 1.457 . . . . 0.0 113.316 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -32.15 43.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.627 0.771 . . . . 0.0 112.164 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -85.41 -43.37 13.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.335 1.454 . . . . 0.0 111.238 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.755 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.58 -33.81 64.25 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.26 1.824 . . . . 0.0 112.576 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.96 -40.09 60.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.652 0.781 . . . . 0.0 110.383 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.43 -55.83 10.52 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 113.627 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.0 -49.95 70.21 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.041 0.837 . . . . 0.0 111.377 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -61.31 -34.94 76.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.863 0.865 . . . . 0.0 112.79 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.506 1.048 . . . . 0.0 111.924 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -79.12 -33.79 43.96 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.177 -0.952 . . . . 0.0 111.452 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -19.78 48.51 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.647 . . . . 0.0 112.532 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 59' ' ' VAL . 5.6 mm -70.61 -19.62 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.55 1.14 . . . . 0.0 112.349 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -121.35 -33.34 3.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.304 1.842 . . . . 0.0 112.341 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.0 p -113.28 -25.27 8.93 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.432 1.493 . . . . 0.0 112.689 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.94 150.12 42.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 124.617 1.103 . . . . 0.0 111.32 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -176.84 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.356 -0.922 . . . . 0.0 113.139 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.2 -52.8 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.477 1.111 . . . . 0.0 113.848 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -59.37 -33.86 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.117 1.367 . . . . 0.0 111.918 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -79.92 -50.05 11.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.213 1.005 . . . . 0.0 112.062 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -49.38 -50.01 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.6 1.56 . . . . 0.0 111.35 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.1 88.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.69 -32.63 74.18 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.776 -1.202 . . . . 0.0 113.665 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.626 HG13 ' HB3' ' A' ' 44' ' ' TYR . 95.0 t -63.13 -66.23 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 123.561 0.745 . . . . 0.0 110.552 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.44 -32.05 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -57.68 -56.57 20.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 126.084 1.754 . . . . 0.0 109.962 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -53.42 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.55 0.34 . . . . 0.0 111.541 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD11 ' SD ' ' A' ' 79' ' ' MET . 1.4 mt -51.83 -44.74 63.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.572 0.749 . . . . 0.0 112.339 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.84 -49.81 73.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.401 1.0 . . . . 0.0 113.562 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.3 mp -68.48 -22.38 64.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -42.42 62.99 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.176 0.991 . . . . 0.0 112.415 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -94.61 -26.43 16.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.006 0.922 . . . . 0.0 112.562 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.54 12.37 81.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.895 1.236 . . . . 0.0 114.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.05 166.01 29.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.382 1.873 . . . . 0.0 111.755 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -63.0 -33.27 75.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.758 1.223 . . . . 0.0 113.871 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.76 91.19 5.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.073 1.349 . . . . 0.0 111.311 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.01 152.77 23.2 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.453 1.101 . . . . 0.0 112.706 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.7 m -64.53 154.81 34.93 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.257 0.623 . . . . 0.0 111.016 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -51.12 -45.6 61.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.149 0.98 . . . . 0.0 112.487 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.15 54.5 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.298 0.951 . . . . 0.0 112.995 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.76 -40.32 96.9 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.982 1.391 . . . . 0.0 111.711 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -31.05 61.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.024 0.93 . . . . 0.0 112.917 177.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -56.66 19.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.306 1.042 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' HD11 ' A' ' 63' ' ' LEU . 5.5 ttm -75.92 -38.82 57.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.438 0.695 . . . . 0.0 112.024 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.62 -48.73 71.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.602 -0.713 . . . . 0.0 111.274 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.66 -40.88 41.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.808 1.243 . . . . 0.0 112.783 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -73.43 -51.47 17.13 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.673 0.789 . . . . 0.0 111.084 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -31.0 68.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.088 0.955 . . . . 0.0 113.271 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -54.91 26.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.377 2.271 . . . . 0.0 110.616 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -20.08 61.24 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.211 1.004 . . . . 0.0 112.753 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.37 -39.69 11.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.572 1.549 . . . . 0.0 112.861 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 106' ' ' LEU . 13.5 tp -47.43 -57.04 5.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.335 1.454 . . . . 0.0 110.933 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.432 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -72.76 -13.99 16.73 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -69.1 -44.31 72.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.611 1.964 . . . . 0.0 112.374 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.18 -48.58 12.93 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.607 0.717 . . . . 0.0 110.252 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.837 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -64.28 -17.09 63.31 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.86 1.664 . . . . 0.0 113.257 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -47.07 -34.64 6.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.148 2.179 . . . . 0.0 113.508 179.082 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -62.61 1.7 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.63 -25.86 65.95 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -57.31 -54.87 41.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.432 1.093 . . . . 0.0 111.145 175.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.2 t70 47.89 32.58 2.83 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 125.475 1.51 . . . . 0.0 114.494 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -169.1 2.97 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.167 2.187 . . . . 0.0 112.233 -171.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.8 m -62.95 147.93 49.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.218 1.407 . . . . 0.0 111.218 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -49.72 -29.14 7.05 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.428 1.013 . . . . 0.0 113.723 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -25.26 6.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.893 1.677 . . . . 0.0 112.034 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -57.76 -59.48 5.16 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 110.198 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.78 -38.87 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.662 0.785 . . . . 0.0 111.358 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.432 ' HG3' HG21 ' A' ' 88' ' ' ILE . 23.0 mt-10 -59.73 -49.4 77.87 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.119 0.968 . . . . 0.0 111.859 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -74.22 -27.06 60.61 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.817 -1.087 . . . . 0.0 111.977 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -27.17 52.91 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.968 1.713 . . . . 0.0 111.529 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -54.3 -33.66 59.26 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.99 0.916 . . . . 0.0 112.072 175.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -31.03 71.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.005 0.922 . . . . 0.0 113.473 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 tmmt? -90.67 -24.82 20.35 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.691 2.397 . . . . 0.0 112.092 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 25' ' ' LEU . 61.4 mt -77.56 -66.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.958 1.303 . . . . 0.0 109.932 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.6 m-85 -85.39 6.28 27.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.142 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 127.575 2.35 . . . . 0.0 113.505 -178.198 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 -38.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.363 1.065 . . . . 0.0 112.658 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -59.95 109.89 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.298 1.439 . . . . 0.0 112.305 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.97 177.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.219 1.807 . . . . 0.0 112.055 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.4 p -116.76 179.86 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.623 1.969 . . . . 0.0 110.749 174.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -49.41 -29.97 7.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.41 1.084 . . . . 0.0 113.552 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -52.7 -57.21 10.83 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.979 1.711 . . . . 0.0 112.621 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -43.42 98.91 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.217 1.007 . . . . 0.0 110.542 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 91' ' ' LEU . 94.8 t -56.89 -49.9 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -53.87 -43.1 69.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.585 1.154 . . . . 0.0 111.979 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -65.14 -53.09 50.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.407 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.2 t -48.15 -49.52 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.917 1.687 . . . . 0.0 111.929 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.91 -35.46 61.67 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -74.76 -24.28 58.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 114.148 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 21' ' ' VAL . 71.1 mt -69.41 -49.71 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.517 1.527 . . . . 0.0 110.675 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.56 -11.68 53.48 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -56.74 -25.35 54.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.223 1.409 . . . . 0.0 114.11 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.77 137.8 35.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.697 1.199 . . . . 0.0 112.524 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' HD22 ' A' ' 65' ' ' LEU . 12.6 mmmm -102.2 7.28 40.89 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.799 1.64 . . . . 0.0 113.713 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -97.64 11.08 38.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.398 1.879 . . . . 0.0 113.286 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 65' ' ' LEU . 2.7 pp -92.63 -8.55 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.541 1.937 . . . . 0.0 113.173 -177.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 p -45.42 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.325 2.25 . . . . 0.0 113.12 -174.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.84 133.82 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.933 0.893 . . . . 0.0 109.9 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.09 143.95 54.45 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.679 1.191 . . . . 0.0 112.59 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -36.31 81.34 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -59.9 -43.03 95.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.329 1.052 . . . . 0.0 111.494 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -84.53 -23.0 29.95 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.477 1.111 . . . . 0.0 112.647 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.07 -45.51 64.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.702 1.201 . . . . 0.0 112.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -50.27 -35.56 27.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.312 1.045 . . . . 0.0 113.213 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -86.25 -40.4 15.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.57 1.548 . . . . 0.0 111.714 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.69 61.31 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 112.607 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.6 -41.7 70.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.02 0.928 . . . . 0.0 110.998 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -66.87 -57.24 7.37 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.606 1.562 . . . . 0.0 112.166 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.81 -51.34 61.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.378 0.671 . . . . 0.0 111.092 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.648 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.3 m-30 -60.8 -37.64 82.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.901 0.88 . . . . 0.0 113.17 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -33.69 66.48 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.587 1.085 . . . . 0.0 112.541 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.81 -39.42 43.86 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.466 -0.772 . . . . 0.0 111.049 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -17.15 5.02 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 59' ' ' VAL . 6.5 mm -72.19 -23.92 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.643 1.177 . . . . 0.0 112.423 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 -27.83 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.407 1.483 . . . . 0.0 113.751 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.7 p -108.42 -27.97 9.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.944 1.297 . . . . 0.0 111.79 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.67 145.29 40.0 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 124.559 1.076 . . . . 0.0 111.12 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -83.45 175.79 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.39 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 90' ' ' GLU . 2.6 p -49.63 -46.56 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.657 1.583 . . . . 0.0 113.541 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.55 -24.76 67.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.892 0.877 . . . . 0.0 113.243 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.7 mt-10 -87.97 -50.4 6.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.582 1.553 . . . . 0.0 112.2 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.83 -50.19 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.846 1.657 . . . . 0.0 112.586 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.39 77.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.68 -42.11 82.95 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.236 -0.915 . . . . 0.0 111.653 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 48' ' ' ILE . 98.1 t -57.02 -63.33 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.2 -32.99 68.8 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -62.66 -54.12 44.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.631 1.572 . . . . 0.0 110.61 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.84 -52.46 41.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.037 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.99 -44.26 70.71 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.02 -50.68 72.39 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.174 -0.954 . . . . 0.0 112.937 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 30' ' ' ILE . 12.9 mt -71.73 -25.85 62.23 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.26 -25.77 64.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.587 1.555 . . . . 0.0 112.577 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -108.73 -30.19 8.3 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.582 1.553 . . . . 0.0 113.43 175.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.21 77.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.137 0.875 . . . . 0.0 114.235 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -148.3 179.25 7.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.777 1.631 . . . . 0.0 112.218 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -41.71 51.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.767 1.227 . . . . 0.0 113.861 175.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -95.02 73.8 3.46 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.022 1.329 . . . . 0.0 111.245 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 HD22 ' A' ' 80' ' ' LEU . 20.7 mt -56.8 166.86 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.638 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.421 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -61.84 149.13 41.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 175.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.91 -38.89 62.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.546 0.738 . . . . 0.0 112.278 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.67 97.1 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.077 0.846 . . . . 0.0 113.811 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -72.98 -45.16 59.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.374 1.087 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -49.04 -34.29 13.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.604 1.561 . . . . 0.0 112.577 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -50.03 -59.9 3.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.636 1.574 . . . . 0.0 113.102 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.21 -38.89 55.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.592 0.757 . . . . 0.0 112.192 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 72' ' ' LEU . 5.8 tp -54.5 -46.31 73.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 123.322 0.649 . . . . 0.0 110.964 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -51.84 -39.86 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.853 1.261 . . . . 0.0 112.399 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -74.17 -48.35 29.78 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.495 1.118 . . . . 0.0 111.508 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.19 83.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.216 1.006 . . . . 0.0 113.38 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -49.99 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.876 2.07 . . . . 0.0 110.25 174.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -21.2 63.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.466 HD23 ' CE ' ' A' ' 89' ' ' LYS . 21.1 mt -92.19 -35.63 13.73 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.083 1.353 . . . . 0.0 113.671 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 60' ' ' LEU . 14.6 tp -50.74 -58.71 5.25 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.409 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -18.16 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.679 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.466 ' CE ' HD23 ' A' ' 86' ' ' LEU . 21.1 ttpt -72.27 -49.81 31.95 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.964 2.106 . . . . 0.0 112.766 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 53' ' ' VAL . 6.3 pt-20 -74.41 -48.48 27.49 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.553 1.141 . . . . 0.0 111.998 175.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 18' ' ' VAL . 96.7 mt -66.82 -15.07 63.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.271 1.029 . . . . 0.0 112.508 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -33.8 1.83 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.874 2.07 . . . . 0.0 114.426 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -62.35 1.82 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.571 1.548 . . . . 0.0 111.979 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.21 -24.91 65.89 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -59.02 -54.75 43.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.674 1.189 . . . . 0.0 110.796 175.029 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 48.94 35.78 7.28 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.961 1.305 . . . . 0.0 113.585 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -160.87 -169.76 2.5 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.417 1.887 . . . . 0.0 112.786 -172.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 m -60.19 147.66 39.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.066 1.347 . . . . 0.0 111.406 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -51.0 -30.23 14.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.228 1.011 . . . . 0.0 113.606 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -25.42 5.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.997 1.719 . . . . 0.0 112.539 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.69 -59.56 4.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.017 1.28 . . . . 0.0 110.162 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.401 HD12 ' HD3' ' A' ' 95' ' ' LYS . 18.0 mt -80.12 -36.89 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.561 0.745 . . . . 0.0 111.362 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.92 -49.77 76.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.775 0.83 . . . . 0.0 111.848 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -74.78 -23.34 58.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.561 -0.733 . . . . 0.0 112.349 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' OD1' ' HE3' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -57.78 -23.61 53.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.909 1.686 . . . . 0.0 112.404 175.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.695 HD22 ' CE2' ' A' ' 110' ' ' PHE . 75.9 mt -54.61 -42.49 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.802 -1.187 . . . . 0.0 112.794 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -20.08 65.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HE3' ' OD1' ' A' ' 105' ' ' ASP . 2.8 tmmt? -92.44 -16.39 25.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.97 2.108 . . . . 0.0 112.931 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 25' ' ' LEU . 25.3 mt -98.41 -68.04 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 125.235 1.414 . . . . 0.0 109.926 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.695 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -74.59 -10.4 59.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.803 1.241 . . . . 0.0 112.894 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 126.304 1.842 . . . . 0.0 112.623 179.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -147.8 -35.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.284 1.034 . . . . 0.0 112.285 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -61.25 108.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 111.838 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.54 176.71 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.275 1.83 . . . . 0.0 112.178 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -117.5 179.48 4.04 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.261 2.224 . . . . 0.0 110.519 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -28.48 4.88 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.733 1.213 . . . . 0.0 113.764 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -52.29 -57.57 9.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.785 1.234 . . . . 0.0 113.026 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -42.31 98.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.012 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.787 HG11 ' HB3' ' A' ' 94' ' ' ALA . 48.3 t -55.35 -34.84 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.991 0.814 . . . . 0.0 111.179 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.72 -41.97 64.65 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.016 -1.677 . . . . 0.0 112.485 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -68.05 -52.61 33.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.77 0.828 . . . . 0.0 113.089 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 7.1 p -53.71 -39.47 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.557 1.143 . . . . 0.0 111.868 178.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -61.29 -34.92 76.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.785 0.72 . . . . 0.0 111.965 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 t -73.3 -33.29 65.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.707 1.203 . . . . 0.0 112.567 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.82 -51.53 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.348 1.059 . . . . 0.0 111.332 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -82.39 -11.27 58.66 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.12 -21.57 47.1 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.479 1.511 . . . . 0.0 114.375 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -86.5 121.76 29.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.723 1.209 . . . . 0.0 111.764 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -0.19 55.83 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.504 1.522 . . . . 0.0 113.518 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.14 6.32 19.63 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.027 1.731 . . . . 0.0 113.935 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -88.93 -8.18 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 127.022 2.129 . . . . 0.0 113.342 -177.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.2 p -51.11 116.37 1.98 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.036 1.734 . . . . 0.0 113.257 -170.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.43 129.14 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.709 0.804 . . . . 0.0 109.793 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 135.4 53.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 111.828 175.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.4 m -51.68 -25.79 7.91 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.106 1.362 . . . . 0.0 114.521 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 m -68.02 -61.61 1.78 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.148 1.379 . . . . 0.0 111.367 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -70.74 -21.59 62.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 0.0 112.368 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -50.95 -42.46 59.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.705 1.202 . . . . 0.0 113.512 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -53.38 -32.72 50.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.005 0.922 . . . . 0.0 112.64 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -86.65 -42.68 13.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.21 1.804 . . . . 0.0 111.67 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.68 59.7 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.49 1.116 . . . . 0.0 112.376 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.83 -42.49 65.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.102 0.961 . . . . 0.0 111.194 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -65.32 -55.91 15.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.477 1.511 . . . . 0.0 112.652 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.35 -49.83 71.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.201 0.601 . . . . 0.0 110.97 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.518 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.2 m-30 -62.12 -34.15 75.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -29.36 66.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.723 1.147 . . . . 0.0 112.072 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.24 -39.38 40.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.514 1.126 . . . . 0.0 111.012 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -16.73 4.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 59' ' ' VAL . 3.9 mm -77.08 -20.24 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.321 1.048 . . . . 0.0 112.7 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -116.73 -29.87 5.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.771 1.628 . . . . 0.0 114.112 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -116.27 -22.86 8.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.752 1.221 . . . . 0.0 113.026 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 133.59 23.01 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 124.34 0.972 . . . . 0.0 111.26 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -70.29 176.25 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.622 -0.789 . . . . 0.0 111.623 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.31 -51.93 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 127.307 2.243 . . . . 0.0 112.007 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.17 -30.88 66.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.009 0.924 . . . . 0.0 111.8 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -80.16 -48.35 13.3 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.32 1.048 . . . . 0.0 113.014 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -50.66 -50.6 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 121.356 1.889 . . . . 0.0 111.769 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.9 85.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.01 -38.0 78.23 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.373 -0.823 . . . . 0.0 111.584 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' HB3' ' A' ' 44' ' ' TYR . 78.8 t -59.14 -68.11 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.476 1.489 . . . . 0.0 110.655 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.43 -32.14 62.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -175.118 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.4 -51.95 66.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.847 1.659 . . . . 0.0 110.464 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.77 -53.83 53.32 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.674 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.01 -42.33 62.92 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.183 0.901 . . . . 0.0 112.559 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.532 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.5 m-85 -62.38 -48.74 78.42 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.039 -1.038 . . . . 0.0 112.669 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 30' ' ' ILE . 34.4 mt -69.78 -21.71 63.39 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.63 -47.64 79.26 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.528 1.058 . . . . 0.0 112.172 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.74 24.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.364 1.065 . . . . 0.0 112.915 175.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.62 15.16 68.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.895 1.236 . . . . 0.0 113.804 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.53 175.89 13.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.956 1.702 . . . . 0.0 111.596 -172.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.59 -26.95 61.89 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 114.41 175.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 67.73 4.34 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.482 1.913 . . . . 0.0 110.963 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.59 142.7 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.736 1.215 . . . . 0.0 111.228 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -60.45 155.93 17.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.347 0.659 . . . . 0.0 111.465 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.36 -47.18 56.22 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.395 0.998 . . . . 0.0 112.423 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.78 17.15 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.73 -0.483 . . . . 0.0 112.09 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -57.31 -36.47 71.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.464 1.132 . . . . 0.0 113.039 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -60.21 -28.26 67.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.191 1.396 . . . . 0.0 112.943 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.05 -55.27 26.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.192 1.397 . . . . 0.0 111.693 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -70.54 -38.13 74.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 119.278 -0.392 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 64' ' ' TYR . 3.4 tp -54.45 -54.11 45.18 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.598 0.759 . . . . 0.0 111.282 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.72 -36.41 57.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.93 1.292 . . . . 0.0 112.798 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -73.29 -50.59 21.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.052 0.541 . . . . 0.0 111.129 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.63 70.82 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.549 1.139 . . . . 0.0 113.527 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -51.02 71.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.934 2.093 . . . . 0.0 110.901 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -59.7 -23.31 63.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.533 1.133 . . . . 0.0 112.697 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.8 mt -92.35 -36.27 13.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.16 1.384 . . . . 0.0 113.009 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 106' ' ' LEU . 14.0 tp -51.39 -56.3 13.92 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.597 1.559 . . . . 0.0 110.485 175.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.401 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -71.3 -19.17 20.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 120.184 -0.607 . . . . 0.0 112.578 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -61.82 -55.91 24.92 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.572 1.549 . . . . 0.0 112.283 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -66.22 -48.34 70.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.117 1.367 . . . . 0.0 111.831 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 21' ' ' VAL . 88.7 mt -68.3 -15.52 63.6 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.616 1.166 . . . . 0.0 113.932 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 32.6 t -51.39 -28.71 13.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.209 1.804 . . . . 0.0 113.199 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -69.92 0.13 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.221 1.408 . . . . 0.0 113.337 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.787 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.01 -20.18 63.28 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -54.06 -54.75 34.99 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.405 1.482 . . . . 0.0 111.437 175.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.2 t70 50.5 30.23 4.55 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.668 1.587 . . . . 0.0 114.619 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -156.16 -168.38 2.73 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.859 2.063 . . . . 0.0 112.742 -171.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -65.03 148.76 51.06 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.081 1.352 . . . . 0.0 111.152 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.88 -27.56 7.73 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -52.98 -23.74 7.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.503 1.521 . . . . 0.0 112.651 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.3 -59.42 5.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.725 1.148 . . . . 0.0 108.955 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.22 -41.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.746 1.218 . . . . 0.0 111.759 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 88' ' ' ILE . 12.8 mt-10 -58.36 -46.25 86.64 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.665 0.786 . . . . 0.0 111.228 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 t -74.84 -29.97 61.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.189 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -24.65 11.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.664 1.575 . . . . 0.0 112.806 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 87' ' ' LEU . 69.5 mt -55.97 -40.15 72.83 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.112 -0.992 . . . . 0.0 112.047 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -22.94 66.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.3 -18.15 23.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.176 2.59 . . . . 0.0 113.056 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 25' ' ' LEU . 28.3 mt -96.41 -67.67 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 125.295 1.438 . . . . 0.0 109.688 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.8 m-85 -77.2 -12.12 59.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.638 1.175 . . . . 0.0 113.423 -174.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 CA--C 1.549 0.926 0 C-N-CA 127.033 2.133 . . . . 0.0 112.911 -178.776 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 119.848 -0.12 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -160.87 -48.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.922 1.689 . . . . 0.0 111.212 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -62.1 110.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.349 1.46 . . . . 0.0 112.736 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -146.23 175.81 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.455 1.902 . . . . 0.0 111.775 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -113.45 -179.26 3.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.344 1.858 . . . . 0.0 110.375 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.54 -29.42 6.87 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.333 1.453 . . . . 0.0 113.474 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -51.53 -61.4 2.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.806 1.642 . . . . 0.0 113.849 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.2 -41.01 83.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.417 174.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG13 HD22 ' A' ' 91' ' ' LEU . 45.6 t -54.18 -30.28 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 118.88 0.763 . . . . 0.0 111.36 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -50.4 15.28 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.123 -1.611 . . . . 0.0 111.719 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.85 -51.85 67.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.757 HG11 HD21 ' A' ' 91' ' ' LEU . 8.5 p -54.06 -40.8 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.031 0.832 . . . . 0.0 111.641 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -62.73 -28.99 70.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.783 0.72 . . . . 0.0 112.901 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 t -78.12 -30.97 49.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 0.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' VAL . 91.9 mt -64.0 -54.77 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.369 1.067 . . . . 0.0 111.005 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -56.32 -27.98 57.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.633 1.173 . . . . 0.0 114.093 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.81 140.59 42.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.577 1.151 . . . . 0.0 112.582 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 5.8 21.08 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.784 1.234 . . . . 0.0 113.853 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -97.18 3.84 51.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.74 2.016 . . . . 0.0 113.479 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -74.71 -7.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.681 1.592 . . . . 0.0 113.402 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -51.38 104.23 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.152 1.781 . . . . 0.0 112.706 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 40' ' ' ARG . 50.4 t -75.57 138.71 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 110.615 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.8 148.4 29.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.891 1.277 . . . . 0.0 113.244 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -35.88 78.92 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.819 1.648 . . . . 0.0 114.088 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.7 m -61.1 -43.4 98.93 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.612 1.165 . . . . 0.0 111.432 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.0 m -83.06 -24.44 32.75 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.126 0.97 . . . . 0.0 112.33 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.25 -43.67 64.47 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.698 1.199 . . . . 0.0 112.95 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.55 -43.05 56.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -80.59 -38.51 29.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.618 1.167 . . . . 0.0 111.524 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.721 ' HG3' HG11 ' A' ' 32' ' ' VAL . 6.0 mmt180 -55.19 -34.92 64.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.784 1.234 . . . . 0.0 112.515 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.1 -42.62 66.13 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.601 0.76 . . . . 0.0 110.815 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -65.3 -59.67 3.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.745 1.618 . . . . 0.0 112.377 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.55 -50.74 62.31 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.137 0.426 . . . . 0.0 111.713 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.68 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -60.13 -37.73 80.95 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.8 0.84 . . . . 0.0 112.446 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -31.81 69.69 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.77 1.168 . . . . 0.0 112.438 175.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -78.73 -37.6 40.95 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.083 -1.011 . . . . 0.0 111.44 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -55.29 -18.09 5.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 59' ' ' VAL . 4.5 mm -73.84 -19.09 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.459 1.103 . . . . 0.0 112.456 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -121.67 -34.99 3.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.894 2.077 . . . . 0.0 111.858 -174.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -112.77 -28.25 7.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.266 1.426 . . . . 0.0 112.339 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.43 148.07 46.57 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 124.938 1.256 . . . . 0.0 111.721 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -84.53 175.0 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.149 1.38 . . . . 0.0 112.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.2 p -48.81 -51.41 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.396 1.479 . . . . 0.0 113.353 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -61.11 -25.67 67.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.883 0.873 . . . . 0.0 112.507 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.3 mt-10 -83.6 -48.91 9.72 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.417 1.087 . . . . 0.0 112.893 174.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mm -48.18 -49.67 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.522 1.51 . . . . 0.0 111.695 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.22 90.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.101 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.39 -33.34 75.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.452 -1.405 . . . . 0.0 112.591 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 48' ' ' ILE . 79.1 t -61.06 -66.42 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 123.898 0.879 . . . . 0.0 109.999 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.48 -35.18 65.25 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -176.058 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -58.24 -47.86 82.22 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.689 1.996 . . . . 0.0 111.048 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -56.25 17.68 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.246 0.618 . . . . 0.0 110.272 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 76' ' ' GLU . 2.8 mp -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.532 0.733 . . . . 0.0 112.804 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.442 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -55.86 -50.54 70.33 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 175.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 30' ' ' ILE . 54.7 mt -72.6 -30.53 64.44 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.52 -33.87 71.92 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.557 1.143 . . . . 0.0 111.882 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -32.01 15.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.895 1.278 . . . . 0.0 113.436 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 16.98 78.02 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.317 0.961 . . . . 0.0 114.214 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -151.15 176.03 11.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.347 1.859 . . . . 0.0 111.892 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -77.17 -39.87 47.43 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.77 1.628 . . . . 0.0 113.919 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.67 71.39 7.56 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.156 1.782 . . . . 0.0 111.269 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -54.34 154.92 4.15 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -59.44 155.67 14.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.111 0.965 . . . . 0.0 111.27 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.54 -42.37 64.33 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.23 -52.75 21.15 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.143 0.878 . . . . 0.0 113.437 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' HD23 ' A' ' 63' ' ' LEU . 52.0 mt-10 -62.57 -40.04 95.59 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.933 -1.333 . . . . 0.0 112.063 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -54.31 -28.67 43.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.059 0.944 . . . . 0.0 113.274 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -57.66 11.73 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.812 1.245 . . . . 0.0 112.126 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttm -76.29 -39.36 54.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.57 0.748 . . . . 0.0 111.888 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 72' ' ' LEU . 5.0 tp -54.83 -45.87 74.52 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.473 175.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -52.03 -39.22 59.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.135 . . . . 0.0 112.765 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -74.53 -48.64 25.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.317 0.647 . . . . 0.0 111.21 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.34 -31.43 69.18 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.182 -0.949 . . . . 0.0 112.734 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -63.26 -53.71 48.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.902 2.081 . . . . 0.0 111.374 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 p -61.24 -21.97 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.55 -34.46 14.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.794 2.038 . . . . 0.0 113.406 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -53.0 -58.65 6.25 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.176 1.39 . . . . 0.0 110.009 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -18.72 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.415 -0.803 . . . . 0.0 112.758 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -53.43 46.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.649 1.579 . . . . 0.0 112.551 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' CG ' HG23 ' A' ' 53' ' ' VAL . 1.8 pt-20 -70.31 -46.25 64.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.737 1.215 . . . . 0.0 111.564 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 21' ' ' VAL . 91.9 mt -67.8 -18.42 64.85 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.429 1.091 . . . . 0.0 113.593 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.9 t -44.13 -36.04 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 128.103 2.561 . . . . 0.0 113.338 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -64.92 0.68 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.143 1.377 . . . . 0.0 112.029 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.83 -23.1 60.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.44 -45.08 46.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.59 1.156 . . . . 0.0 111.5 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 46.23 30.95 1.09 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.636 1.974 . . . . 0.0 113.984 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.41 -167.04 1.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.156 2.182 . . . . 0.0 111.468 -167.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 157.66 25.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.378 1.071 . . . . 0.0 111.152 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -54.67 -27.82 42.9 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.419 -0.801 . . . . 0.0 112.792 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -26.96 12.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.826 1.651 . . . . 0.0 111.982 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -59.78 4.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.464 1.483 . . . . 0.0 109.434 175.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.28 -40.58 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 O-C-N 121.697 -0.627 . . . . 0.0 112.046 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.72 -47.8 81.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.547 0.739 . . . . 0.0 111.718 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -74.77 -31.67 61.83 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.113 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -54.71 -23.56 18.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.597 1.544 . . . . 0.0 112.837 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 87' ' ' LEU . 82.2 mt -55.98 -35.68 67.02 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.854 0.862 . . . . 0.0 112.077 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -63.28 -23.86 67.61 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.863 0.865 . . . . 0.0 112.726 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -93.86 -17.41 23.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.039 2.136 . . . . 0.0 113.276 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.501 HG21 HD13 ' A' ' 25' ' ' LEU . 68.2 mt -91.91 -67.99 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.807 1.643 . . . . 0.0 109.941 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.4 m-85 -81.37 -10.82 59.46 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.565 1.146 . . . . 0.0 112.521 -175.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.7 t30 . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 128.05 2.54 . . . . 0.0 113.601 178.435 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 119.646 -0.216 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.15 -30.6 0.38 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.816 1.246 . . . . 0.0 112.67 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.35 110.42 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.168 1.387 . . . . 0.0 112.05 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.19 174.25 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.655 1.982 . . . . 0.0 112.215 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.7 p -113.82 177.83 4.5 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.607 1.963 . . . . 0.0 110.719 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.22 -28.58 4.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.031 1.332 . . . . 0.0 113.863 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -55.49 -56.18 23.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.541 1.064 . . . . 0.0 112.895 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.06 -42.75 86.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.7 175.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 91' ' ' LEU . 38.4 t -55.37 -31.67 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 0.585 . . . . 0.0 110.754 -177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.01 -48.85 22.04 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.46 -1.4 . . . . 0.0 111.515 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.23 -52.85 63.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.433 1.093 . . . . 0.0 111.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 91' ' ' LEU . 11.4 p -54.43 -45.2 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 0.0 111.222 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.02 -41.55 88.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.745 0.702 . . . . 0.0 109.89 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.21 -32.5 71.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.635 1.174 . . . . 0.0 113.555 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.48 -51.3 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.048 0.939 . . . . 0.0 110.773 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.742 HD12 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -78.29 -16.91 57.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.163 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -54.6 -27.55 40.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.186 1.394 . . . . 0.0 114.113 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -76.53 139.21 40.66 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.805 1.242 . . . . 0.0 112.945 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 -14.33 18.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.817 1.247 . . . . 0.0 114.324 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -79.14 -2.34 40.3 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.13 1.372 . . . . 0.0 113.734 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.75 -15.47 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.462 1.505 . . . . 0.0 114.194 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 t -39.06 105.22 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.617 2.367 . . . . 0.0 113.605 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.04 137.24 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.458 1.503 . . . . 0.0 111.522 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.0 148.27 50.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.296 1.038 . . . . 0.0 112.608 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.36 -45.79 91.56 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.333 1.053 . . . . 0.0 113.559 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.9 m -58.34 -45.56 87.91 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.209 -0.932 . . . . 0.0 111.01 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -70.66 -32.16 69.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.16 1.384 . . . . 0.0 112.585 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -54.46 -48.65 71.51 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.98 1.312 . . . . 0.0 111.982 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -52.96 -30.23 33.57 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.029 0.932 . . . . 0.0 113.057 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.17 -50.91 7.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.483 1.913 . . . . 0.0 111.241 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.54 54.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.432 1.493 . . . . 0.0 112.908 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.75 -42.88 62.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.241 1.416 . . . . 0.0 111.552 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -64.85 -58.0 7.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.444 1.498 . . . . 0.0 112.295 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -56.98 -47.13 81.51 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.605 0.362 . . . . 0.0 111.185 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -57.16 -45.26 83.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 117.881 -1.056 . . . . 0.0 111.987 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.39 66.03 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.727 1.149 . . . . 0.0 112.386 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -37.0 30.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.363 1.465 . . . . 0.0 112.209 175.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.18 -18.32 25.02 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.686 -1.259 . . . . 0.0 112.981 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 HG11 ' A' ' 59' ' ' VAL . 6.8 mm -70.29 -24.54 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.56 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -120.37 -23.58 6.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.762 1.225 . . . . 0.0 113.776 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 p -113.71 -28.46 7.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.735 1.214 . . . . 0.0 113.024 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.47 145.09 30.03 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 124.842 1.21 . . . . 0.0 110.452 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -83.2 179.87 7.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.097 -1.051 . . . . 0.0 112.922 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.58 -52.08 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.321 1.848 . . . . 0.0 113.449 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -59.58 -32.31 70.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.147 1.379 . . . . 0.0 112.352 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.0 mt-10 -82.1 -49.18 10.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.518 1.527 . . . . 0.0 111.657 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -49.43 -49.94 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.667 1.587 . . . . 0.0 111.172 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.064 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.1 -35.95 69.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.913 -1.117 . . . . 0.0 111.239 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.594 HG11 HD11 ' A' ' 48' ' ' ILE . 88.7 t -61.22 -61.49 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.611 1.164 . . . . 0.0 111.073 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.13 -30.44 69.29 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -61.17 -56.15 24.02 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.646 1.578 . . . . 0.0 111.751 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.88 -45.8 82.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.11 0.413 . . . . 0.0 110.732 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.48 -45.91 76.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.262 1.025 . . . . 0.0 111.773 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.7 m-85 -62.95 -49.85 73.11 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.1 -26.18 66.57 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.821 -0.549 . . . . 0.0 112.295 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.12 -37.52 74.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.889 1.276 . . . . 0.0 110.534 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.59 -31.47 18.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.221 0.609 . . . . 0.0 112.421 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.08 17.07 69.47 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.408 1.004 . . . . 0.0 114.517 -173.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.1 164.8 36.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 112.451 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -64.4 -37.7 88.44 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.844 1.658 . . . . 0.0 114.053 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 84.19 7.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.721 1.608 . . . . 0.0 110.279 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -64.17 155.86 30.35 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 176.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.78 149.13 50.65 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.756 0.822 . . . . 0.0 110.22 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -52.41 -42.03 63.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.915 0.779 . . . . 0.0 112.875 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.72 48.82 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.058 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -64.69 -41.18 96.23 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.211 -1.17 . . . . 0.0 111.498 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -54.52 -30.99 55.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.067 1.747 . . . . 0.0 112.766 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -56.26 24.24 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.153 1.381 . . . . 0.0 112.018 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -74.74 -35.99 62.62 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.591 0.357 . . . . 0.0 111.636 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 72' ' ' LEU . 9.1 tp -54.53 -48.64 71.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.338 0.655 . . . . 0.0 111.574 175.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -51.71 -38.03 53.41 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.42 1.088 . . . . 0.0 112.914 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -43.89 37.78 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.103 0.961 . . . . 0.0 112.184 176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.14 71.75 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.858 -1.151 . . . . 0.0 112.984 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -60.94 -51.3 69.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.267 2.227 . . . . 0.0 111.01 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 p -63.98 -20.25 65.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.523 HD23 ' HD2' ' A' ' 89' ' ' LYS . 52.0 mt -91.78 -38.06 12.6 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.159 1.384 . . . . 0.0 112.745 175.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 106' ' ' LEU . 20.1 tp -47.03 -61.05 2.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.006 1.323 . . . . 0.0 110.799 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.415 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.75 -14.63 18.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 86' ' ' LEU . 11.4 ttmm -70.31 -42.27 72.2 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.364 1.866 . . . . 0.0 113.001 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.55 -48.77 11.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.718 0.771 . . . . 0.0 109.83 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 21' ' ' VAL . 58.0 mt -62.48 -14.18 38.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.2 1.8 . . . . 0.0 112.433 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 p -50.26 -28.76 8.24 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.561 1.944 . . . . 0.0 114.135 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -62.24 1.85 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.496 1.118 . . . . 0.0 111.655 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.607 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.64 -9.9 59.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 97' ' ' CYS . 7.7 ptmt -49.29 -39.81 32.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.481 1.112 . . . . 0.0 112.539 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 t70 45.38 24.55 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 129.208 3.003 . . . . 0.0 115.187 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 95' ' ' LYS . 1.3 t -166.0 -164.96 0.75 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.661 2.384 . . . . 0.0 111.551 -165.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.55 165.99 21.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.885 1.274 . . . . 0.0 112.037 175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.3 -30.54 62.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.593 -1.317 . . . . 0.0 111.976 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -24.64 7.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.855 1.662 . . . . 0.0 113.05 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -59.47 5.39 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.245 1.839 . . . . 0.0 109.611 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 mt -76.73 -41.29 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.549 0.74 . . . . 0.0 110.519 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' HG21 ' A' ' 88' ' ' ILE . 52.4 mt-10 -58.27 -50.95 71.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.275 1.03 . . . . 0.0 111.899 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -73.56 -32.5 64.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.096 -1.43 . . . . 0.0 112.888 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.63 -26.3 21.56 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.196 1.817 . . . . 0.0 112.085 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 87' ' ' LEU . 76.7 mt -52.7 -36.56 57.53 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.292 0.637 . . . . 0.0 112.316 175.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 112.552 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -35.7 67.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 112.136 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.742 HG21 HD12 ' A' ' 25' ' ' LEU . 16.2 mt -77.11 -62.7 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.263 1.025 . . . . 0.0 111.194 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -81.22 0.21 37.68 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.542 1.537 . . . . 0.0 113.459 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 CA--C 1.549 0.92 0 C-N-CA 128.074 2.55 . . . . 0.0 113.231 -177.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 119.872 -0.109 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.45 -50.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.71 1.604 . . . . 0.0 111.72 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tp -60.74 109.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.615 1.566 . . . . 0.0 112.617 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.94 176.54 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.674 1.99 . . . . 0.0 111.622 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.5 p -114.34 -177.61 3.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.279 2.232 . . . . 0.0 110.99 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -27.1 5.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.303 1.041 . . . . 0.0 113.799 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -50.98 -61.3 2.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.708 1.603 . . . . 0.0 112.979 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -41.05 96.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 117.55 -1.214 . . . . 0.0 109.965 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 91' ' ' LEU . 45.9 t -56.25 -35.62 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 119.527 1.058 . . . . 0.0 111.681 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -74.88 -35.0 62.31 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 119.894 -1.754 . . . . 0.0 113.088 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.34 -51.28 25.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.539 1.135 . . . . 0.0 112.712 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -56.48 -44.09 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.256 1.422 . . . . 0.0 112.212 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 109' ' ' ILE . 6.8 m-85 -56.45 -35.67 68.15 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.964 0.802 . . . . 0.0 111.682 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -67.14 -28.82 68.44 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.361 1.464 . . . . 0.0 113.56 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.12 -48.78 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.524 1.13 . . . . 0.0 110.747 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.76 -11.96 57.89 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.662 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -56.46 -26.75 54.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.966 1.307 . . . . 0.0 114.141 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.29 124.69 30.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 112.368 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -86.65 -8.08 57.77 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -80.56 6.94 11.11 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.119 1.368 . . . . 0.0 113.854 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.597 HD11 HD13 ' A' ' 65' ' ' LEU . 2.4 pp -83.78 -12.06 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 126.84 2.056 . . . . 0.0 113.536 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 p -43.34 114.28 0.61 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.7 2.4 . . . . 0.0 113.977 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -78.59 132.8 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.035 0.934 . . . . 0.0 110.534 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.84 145.97 38.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.477 . . . . 0.0 112.84 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -61.15 -42.41 98.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.18 -46.19 90.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.576 1.15 . . . . 0.0 111.504 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 40' ' ' ARG . 57.8 m -73.4 -25.09 60.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.028 1.731 . . . . 0.0 112.78 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.82 -45.12 95.19 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.532 1.533 . . . . 0.0 112.852 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -51.7 -31.03 24.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.656 0.782 . . . . 0.0 111.998 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -44.37 11.68 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.606 1.962 . . . . 0.0 112.379 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -56.44 -32.49 64.96 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.188 0.995 . . . . 0.0 112.042 176.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.04 -41.44 62.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.274 1.03 . . . . 0.0 111.052 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -63.83 -61.3 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.42 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.34 -47.51 72.47 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.264 0.483 . . . . 0.0 111.461 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.633 ' HB3' HG13 ' A' ' 59' ' ' VAL . 16.6 m-30 -61.76 -37.75 85.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.804 0.841 . . . . 0.0 113.132 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.6 mtt -58.06 -33.87 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.795 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.99 -38.9 61.52 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.384 -0.822 . . . . 0.0 111.207 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -18.34 9.4 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 59' ' ' VAL . 4.8 mm -73.28 -18.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.173 0.989 . . . . 0.0 112.588 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -122.27 -34.65 3.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.669 1.988 . . . . 0.0 112.138 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 p -113.02 -26.21 8.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.166 1.386 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.34 144.43 39.12 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 124.894 1.235 . . . . 0.0 111.84 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.81 175.87 9.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.251 1.02 . . . . 0.0 112.922 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -51.75 -48.64 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.172 1.389 . . . . 0.0 112.095 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.64 -26.57 68.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.705 0.802 . . . . 0.0 112.05 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.3 -45.49 13.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.589 1.156 . . . . 0.0 112.678 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mm -51.98 -49.46 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.611 1.551 . . . . 0.0 111.127 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.18 -36.63 78.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.45 -42.09 83.65 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.422 -0.799 . . . . 0.0 111.574 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 48' ' ' ILE . 69.6 t -57.01 -65.04 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.981 0.912 . . . . 0.0 110.953 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.9 -34.2 65.35 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.8 -57.12 14.27 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.745 1.618 . . . . 0.0 109.614 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.45 -53.8 20.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.192 -0.433 . . . . 0.0 111.181 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.47 -44.75 62.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.102 0.961 . . . . 0.0 112.738 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -60.81 -50.63 72.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.175 0.898 . . . . 0.0 113.407 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 30' ' ' ILE . 4.3 mp -69.67 -19.77 63.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.72 -47.55 73.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.283 0.947 . . . . 0.0 112.393 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -85.88 -27.08 25.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.402 1.081 . . . . 0.0 111.822 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.66 15.75 80.51 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.72 1.152 . . . . 0.0 113.895 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.67 165.32 29.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.921 1.688 . . . . 0.0 111.168 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -66.49 -31.21 71.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.155 0.982 . . . . 0.0 113.417 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -85.74 81.61 8.53 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.512 1.525 . . . . 0.0 110.92 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.59 153.08 43.98 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.93 0.892 . . . . 0.0 112.517 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -66.36 152.88 44.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.692 0.397 . . . . 0.0 110.259 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.31 -39.3 60.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.61 0.764 . . . . 0.0 112.308 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 -52.61 52.03 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.243 -0.754 . . . . 0.0 113.075 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.73 -39.24 90.95 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.549 1.674 . . . . 0.0 112.205 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.33 -32.89 62.88 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.525 1.13 . . . . 0.0 112.866 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -52.98 -59.8 4.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.284 1.434 . . . . 0.0 112.651 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.39 -38.27 55.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.108 0.563 . . . . 0.0 111.982 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 64' ' ' TYR . 2.7 tp -54.93 -50.5 68.7 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 123.555 0.742 . . . . 0.0 111.354 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -50.45 -37.56 38.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.614 1.166 . . . . 0.0 112.639 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -71.14 -54.36 11.31 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.28 1.032 . . . . 0.0 110.881 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -34.0 71.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.405 1.082 . . . . 0.0 113.263 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -50.25 74.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.776 2.03 . . . . 0.0 110.958 175.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -22.07 64.85 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.708 0.803 . . . . 0.0 112.943 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -92.24 -35.71 13.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.324 1.85 . . . . 0.0 112.901 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 106' ' ' LEU . 15.5 tp -52.11 -57.27 10.09 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.717 1.607 . . . . 0.0 110.813 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -19.55 22.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -66.55 -49.06 67.7 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.157 1.783 . . . . 0.0 112.556 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.41 -46.78 37.99 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.988 1.315 . . . . 0.0 111.304 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 18' ' ' VAL . 80.4 mt -67.84 -16.12 63.95 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.759 1.223 . . . . 0.0 113.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.475 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 17.6 t -48.79 -32.14 8.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.376 2.271 . . . . 0.0 113.061 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -65.78 0.56 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.912 1.285 . . . . 0.0 112.516 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.729 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.34 -22.63 62.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -54.37 -54.78 35.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.466 1.506 . . . . 0.0 111.47 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 48.24 31.75 2.78 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.973 1.709 . . . . 0.0 114.732 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 -168.93 2.95 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.211 2.205 . . . . 0.0 111.844 -171.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 p -62.08 147.92 45.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.072 1.749 . . . . 0.0 111.38 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.34 -28.15 7.45 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 119.709 1.14 . . . . 0.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.35 -23.87 6.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.142 1.777 . . . . 0.0 112.437 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -59.73 4.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 120.239 1.381 . . . . 0.0 109.103 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.84 -39.54 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.317 1.047 . . . . 0.0 111.23 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.47 -46.72 89.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.876 0.87 . . . . 0.0 111.71 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -74.78 -29.46 61.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.3 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -26.94 13.64 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.22 1.373 . . . . 0.0 112.77 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 87' ' ' LEU . 72.7 mt -54.02 -38.56 65.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.418 1.087 . . . . 0.0 112.526 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -64.46 -24.43 67.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.482 1.113 . . . . 0.0 113.584 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -93.75 -15.59 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.552 2.341 . . . . 0.0 112.968 175.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 25' ' ' LEU . 13.7 mt -95.43 -67.51 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 124.66 1.184 . . . . 0.0 111.069 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.673 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -76.86 -12.45 59.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.444 1.098 . . . . 0.0 112.87 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 CA--C 1.547 0.832 0 C-N-CA 127.788 2.435 . . . . 0.0 113.385 179.071 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -151.79 -32.82 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.364 1.066 . . . . 0.0 112.638 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tp -59.1 109.89 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.505 1.522 . . . . 0.0 112.838 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.88 177.63 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.681 1.992 . . . . 0.0 112.364 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.6 p -117.47 -179.87 3.85 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.337 1.855 . . . . 0.0 110.739 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -26.4 7.09 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.493 1.117 . . . . 0.0 113.764 175.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.71 -55.91 26.62 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.989 -1.069 . . . . 0.0 112.818 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -43.0 93.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 117.705 -1.14 . . . . 0.0 109.719 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.2 t -54.66 -44.36 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.183 0.901 . . . . 0.0 110.692 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -69.08 -32.43 71.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.745 -1.222 . . . . 0.0 113.68 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -73.46 -55.28 6.56 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.222 1.009 . . . . 0.0 112.577 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 91' ' ' LEU . 9.9 p -54.43 -38.72 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.893 1.277 . . . . 0.0 111.639 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -79.99 -25.27 40.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.132 1.373 . . . . 0.0 112.813 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.39 -54.3 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.451 1.1 . . . . 0.0 110.698 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -80.67 -11.2 59.67 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.299 1.04 . . . . 0.0 113.686 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.36 126.18 30.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.996 1.319 . . . . 0.0 111.394 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.44 -2.59 56.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.56 12.34 1.66 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.996 1.719 . . . . 0.0 114.447 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.405 HD11 HD13 ' A' ' 65' ' ' LEU . 2.7 pp -99.14 0.7 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.844 2.458 . . . . 0.0 113.716 -175.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -45.4 104.27 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.656 1.983 . . . . 0.0 112.621 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.46 136.67 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.35 138.75 58.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.387 0.675 . . . . 0.0 111.19 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -60.58 -33.28 72.49 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -70.16 -44.28 69.14 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.436 -0.79 . . . . 0.0 110.699 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -73.94 -23.71 59.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.442 1.097 . . . . 0.0 113.077 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -52.61 -45.44 66.57 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.512 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.02 -31.56 51.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.56 -43.77 13.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.678 1.591 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -36.63 59.82 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.104 0.962 . . . . 0.0 112.515 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -51.58 -41.87 61.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.985 0.914 . . . . 0.0 111.253 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -62.51 -64.45 0.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.715 1.206 . . . . 0.0 112.33 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.13 -45.31 71.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.157 0.583 . . . . 0.0 111.464 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.4 m-30 -59.56 -42.0 91.44 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.138 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.72 65.22 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.496 1.044 . . . . 0.0 112.165 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -81.39 -36.75 29.18 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.918 0.887 . . . . 0.0 112.114 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -22.85 14.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 174.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 59' ' ' VAL . 3.8 mm -70.55 -16.74 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.136 1.374 . . . . 0.0 112.76 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -29.15 4.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.825 1.25 . . . . 0.0 112.662 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -116.99 -26.5 6.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.675 1.19 . . . . 0.0 112.782 -173.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.94 143.05 37.39 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 125.549 1.547 . . . . 0.0 111.404 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.96 171.87 12.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 124.113 0.965 . . . . 0.0 112.603 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.416 HG11 HG21 ' A' ' 13' ' ' ILE . 2.2 p -48.97 -47.54 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -62.64 -35.82 80.84 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.52 1.128 . . . . 0.0 110.429 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 59' ' ' VAL . 38.6 mt-10 -72.93 -48.18 39.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.942 1.297 . . . . 0.0 112.605 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.6 mm -50.42 -51.91 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 120.686 1.584 . . . . 0.0 112.522 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -45.26 79.25 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.01 -37.53 85.25 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.416 -0.803 . . . . 0.0 113.043 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 48' ' ' ILE . 97.4 t -61.29 -60.45 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.913 -1.117 . . . . 0.0 111.386 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -31.66 71.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' HB3' ' A' ' 25' ' ' LEU . 18.6 ttp180 -58.74 -57.07 14.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.894 1.278 . . . . 0.0 109.686 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.22 -45.14 80.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.885 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.91 -39.31 68.65 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.628 1.171 . . . . 0.0 112.577 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CE2' HD11 ' A' ' 80' ' ' LEU . 5.4 m-85 -70.58 -50.24 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.057 0.844 . . . . 0.0 113.095 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 30' ' ' ILE . 5.6 mp -67.94 -20.96 65.12 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.263 -0.898 . . . . 0.0 113.001 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -47.13 80.96 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.095 1.758 . . . . 0.0 113.216 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -29.33 51.14 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 111.352 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.84 8.53 87.38 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.92 1.724 . . . . 0.0 114.074 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -156.66 168.98 25.76 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.589 1.556 . . . . 0.0 111.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -15.19 62.55 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.28 56.94 2.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 111.406 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 80' ' ' LEU . 25.2 mt -60.19 154.72 19.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.638 1.175 . . . . 0.0 112.557 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -83.04 164.68 20.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.059 0.944 . . . . 0.0 110.954 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -52.84 -40.1 63.07 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.193 0.997 . . . . 0.0 112.254 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.48 -52.61 51.53 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.534 1.064 . . . . 0.0 113.569 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -41.39 81.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.192 1.496 . . . . 0.0 111.832 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -38.15 61.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.219 1.007 . . . . 0.0 112.63 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -59.49 3.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.003 1.321 . . . . 0.0 112.961 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.8 ttm -76.47 -37.35 57.01 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.752 HD22 HD12 ' A' ' 72' ' ' LEU . 3.9 tp -53.09 -51.42 61.91 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.739 0.816 . . . . 0.0 111.348 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -51.44 -35.88 41.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.916 1.286 . . . . 0.0 112.864 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -49.85 20.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.351 1.061 . . . . 0.0 111.635 175.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.27 73.45 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -51.7 68.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.55 2.34 . . . . 0.0 110.999 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -58.18 -25.06 61.09 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.54 1.136 . . . . 0.0 112.62 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.416 HD23 ' HD2' ' A' ' 89' ' ' LYS . 65.8 mt -92.46 -38.08 12.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.557 1.143 . . . . 0.0 112.972 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -47.46 -57.41 5.38 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.07 1.348 . . . . 0.0 110.152 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -18.37 20.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HD2' HD23 ' A' ' 86' ' ' LEU . 10.8 ttmt -64.59 -43.02 95.15 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.868 1.667 . . . . 0.0 113.146 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -81.33 -48.97 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.01 0.909 . . . . 0.0 108.915 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.671 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -61.7 -19.98 62.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.115 1.766 . . . . 0.0 114.058 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -49.11 -26.34 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.359 2.263 . . . . 0.0 113.987 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -70.13 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.964 1.306 . . . . 0.0 111.545 175.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.779 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.81 -18.2 61.49 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -46.72 55.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.925 1.29 . . . . 0.0 111.546 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.0 t70 47.05 30.31 1.27 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.769 2.028 . . . . 0.0 114.262 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -159.73 -164.24 1.3 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.689 1.996 . . . . 0.0 112.391 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.75 163.19 26.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.583 1.153 . . . . 0.0 112.076 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -55.87 -27.75 53.29 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.811 -1.181 . . . . 0.0 113.07 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.56 -26.22 12.71 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.896 1.678 . . . . 0.0 112.731 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.12 -55.29 34.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.913 1.233 . . . . 0.0 110.939 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -81.3 -43.43 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.964 1.305 . . . . 0.0 112.031 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -58.17 -47.43 83.42 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.799 0.727 . . . . 0.0 111.583 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -74.79 -19.77 60.07 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.933 0.893 . . . . 0.0 112.672 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.75 -21.51 64.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 119.739 -1.85 . . . . 0.0 111.114 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 87' ' ' LEU . 88.9 mt -58.05 -40.56 81.24 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 120.905 -1.122 . . . . 0.0 112.979 178.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -20.75 66.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -89.72 -28.95 19.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.616 2.367 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 25' ' ' LEU . 56.3 mt -79.78 -54.13 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 125.201 1.4 . . . . 0.0 110.517 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.0 m-85 -94.42 1.02 55.82 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.653 1.581 . . . . 0.0 113.575 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 128.171 2.588 . . . . 0.0 114.148 -177.687 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.69 -33.34 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.003 1.321 . . . . 0.0 112.307 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 tp -59.21 109.11 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.772 1.229 . . . . 0.0 111.931 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -143.14 175.83 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 125.852 1.661 . . . . 0.0 111.658 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -118.59 178.17 4.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.054 1.742 . . . . 0.0 110.519 175.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.7 -30.75 14.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.054 1.341 . . . . 0.0 113.073 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.43 -59.7 3.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.015 1.726 . . . . 0.0 112.789 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.38 -34.33 78.05 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.275 1.03 . . . . 0.0 110.695 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD22 ' A' ' 91' ' ' LEU . 87.3 t -57.42 -50.88 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.163 0.892 . . . . 0.0 110.118 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -31.74 68.33 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.308 -0.87 . . . . 0.0 112.799 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.37 -55.79 5.35 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.311 1.045 . . . . 0.0 112.15 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.531 HG11 HD21 ' A' ' 91' ' ' LEU . 12.7 p -56.52 -37.9 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.436 1.017 . . . . 0.0 111.561 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE1' HD13 ' A' ' 91' ' ' LEU . 3.7 m-85 -59.87 -30.05 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.017 0.527 . . . . 0.0 111.868 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -22.58 38.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 0.0 113.572 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.45 -47.94 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.601 1.16 . . . . 0.0 110.353 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.591 HD21 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -84.38 -16.89 41.19 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG23 ' A' ' 109' ' ' ILE . 6.1 tptp -55.84 -26.52 47.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 0.0 113.912 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.2 125.97 30.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.813 1.245 . . . . 0.0 112.515 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.9 mmmm -89.05 5.05 46.21 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.734 1.614 . . . . 0.0 114.007 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -97.23 18.57 14.74 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.387 1.875 . . . . 0.0 113.088 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 65' ' ' LEU . 2.5 pp -99.29 -7.48 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.008 1.723 . . . . 0.0 113.043 -178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 t -41.36 104.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.107 2.163 . . . . 0.0 111.863 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.62 141.22 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.574 1.15 . . . . 0.0 110.402 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.21 149.86 49.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.836 0.855 . . . . 0.0 111.86 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -41.44 90.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.413 1.085 . . . . 0.0 113.104 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -62.86 -44.12 96.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.445 1.098 . . . . 0.0 111.051 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -74.36 -28.26 61.04 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.226 1.01 . . . . 0.0 112.555 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -53.49 -52.1 60.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.877 1.271 . . . . 0.0 112.038 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.24 -28.82 43.86 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -79.85 -52.82 7.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.474 1.909 . . . . 0.0 111.252 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.28 56.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.388 1.475 . . . . 0.0 113.234 176.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -50.58 -40.55 52.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.799 1.24 . . . . 0.0 111.093 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -59.68 3.95 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.404 1.482 . . . . 0.0 113.042 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.64 -47.5 79.6 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 110.573 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -56.87 -43.37 81.15 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 117.877 -1.058 . . . . 0.0 111.97 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -30.58 67.76 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.577 1.08 . . . . 0.0 112.583 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.99 -41.55 28.76 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.764 1.226 . . . . 0.0 111.552 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.08 -17.13 6.2 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.047 -1.033 . . . . 0.0 113.265 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 59' ' ' VAL . 5.4 mm -70.51 -23.87 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.138 1.775 . . . . 0.0 112.745 177.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -120.24 -26.52 5.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.669 1.188 . . . . 0.0 113.399 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.28 -26.17 9.3 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.033 0.933 . . . . 0.0 112.731 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 150.21 43.61 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 124.305 0.955 . . . . 0.0 111.318 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 179.1 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.95 -1.125 . . . . 0.0 112.788 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.6 p -46.57 -51.75 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.731 1.212 . . . . 0.0 113.023 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -60.34 -34.04 73.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.05 1.34 . . . . 0.0 112.639 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.0 mt-10 -78.31 -50.98 10.81 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.225 1.01 . . . . 0.0 112.557 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.2 mm -48.83 -50.53 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.143 1.377 . . . . 0.0 112.17 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -58.18 -47.16 84.27 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.577 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.19 -38.15 76.17 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 48' ' ' ILE . 84.4 t -60.38 -64.92 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.243 1.017 . . . . 0.0 110.294 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.61 -32.85 65.68 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 21.5 ttp180 -61.31 -56.97 14.44 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.187 1.395 . . . . 0.0 110.301 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.91 -49.24 66.32 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.95 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mp -54.96 -41.98 71.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.678 0.791 . . . . 0.0 112.022 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.407 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.2 m-85 -63.38 -50.37 70.15 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.474 -1.392 . . . . 0.0 113.915 175.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 30' ' ' ILE . 6.4 mp -68.92 -25.92 64.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.13 -37.07 68.96 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.333 1.453 . . . . 0.0 112.84 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -29.26 13.34 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.154 1.382 . . . . 0.0 112.555 177.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.7 74.09 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.899 1.238 . . . . 0.0 114.269 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.6 158.59 44.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.93 1.692 . . . . 0.0 110.857 -175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -60.59 -38.84 85.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.531 1.133 . . . . 0.0 113.542 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -85.93 82.43 8.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.056 1.342 . . . . 0.0 110.75 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 64' ' ' TYR . 1.1 mp -64.65 159.41 22.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -65.36 153.63 40.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.081 -0.387 . . . . 0.0 110.31 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -53.55 -46.27 70.17 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.781 0.832 . . . . 0.0 112.244 177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.77 -39.67 97.78 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.695 0.664 . . . . 0.0 113.73 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.8 -49.62 29.38 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.39 1.076 . . . . 0.0 111.0 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -49.35 -33.65 13.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.047 1.739 . . . . 0.0 112.512 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -58.27 7.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.316 1.446 . . . . 0.0 112.62 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ttm -76.4 -39.16 54.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.669 0.788 . . . . 0.0 112.188 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -55.15 -46.73 75.72 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.942 0.897 . . . . 0.0 111.406 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -50.33 -38.35 41.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.915 1.286 . . . . 0.0 112.769 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -51.08 23.0 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.909 1.284 . . . . 0.0 111.473 175.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.27 -27.65 69.16 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -63.24 -55.51 24.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.131 2.172 . . . . 0.0 111.141 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -58.94 -21.56 58.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.558 1.143 . . . . 0.0 112.651 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.39 -39.35 11.49 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 125.331 1.452 . . . . 0.0 113.579 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.654 ' CD2' HD21 ' A' ' 106' ' ' LEU . 13.6 tp -48.79 -57.73 5.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.074 1.35 . . . . 0.0 109.941 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.13 20.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -63.46 -47.47 81.69 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.388 1.875 . . . . 0.0 112.002 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.76 -48.28 12.72 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.725 0.774 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.758 HD22 HG13 ' A' ' 18' ' ' VAL . 87.8 mt -61.95 -19.37 62.68 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.361 1.464 . . . . 0.0 113.049 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.1 t -42.76 -38.35 2.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.238 2.615 . . . . 0.0 112.862 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -61.08 2.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.307 1.043 . . . . 0.0 111.843 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.683 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.97 -21.21 60.89 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -46.66 71.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.038 1.335 . . . . 0.0 111.301 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t0 44.85 36.92 2.05 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.817 2.047 . . . . 0.0 113.81 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -165.44 0.68 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.056 2.142 . . . . 0.0 112.078 -170.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -66.32 161.34 22.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.791 1.237 . . . . 0.0 112.038 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -55.27 -28.55 54.17 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.933 -1.105 . . . . 0.0 113.104 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -26.26 13.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 112.66 175.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -55.43 -55.22 34.19 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.824 1.193 . . . . 0.0 111.12 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -81.07 -43.54 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.81 1.244 . . . . 0.0 112.63 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.67 -47.19 82.99 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.595 -0.691 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 t -74.77 -21.99 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.503 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.59 -21.01 66.14 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.852 -1.78 . . . . 0.0 110.792 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 87' ' ' LEU . 86.5 mt -55.74 -44.2 77.34 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.474 -1.391 . . . . 0.0 112.767 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -29.59 70.49 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.91 -36.94 56.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.014 1.726 . . . . 0.0 111.512 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 25' ' ' LEU . 38.1 mt -76.48 -59.89 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.344 1.058 . . . . 0.0 110.684 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -83.21 6.49 19.26 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.755 1.222 . . . . 0.0 112.93 -177.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.4 m120 . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 128.229 2.612 . . . . 0.0 113.302 -175.394 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -145.06 -31.99 0.4 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.379 1.472 . . . . 0.0 112.661 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 114.42 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.193 . . . . 0.0 112.017 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG21 HG11 ' A' ' 53' ' ' VAL . 2.5 pp -147.6 178.02 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.832 2.053 . . . . 0.0 111.909 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -120.68 179.32 4.38 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.319 1.847 . . . . 0.0 110.377 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.23 -25.66 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.97 -58.8 6.37 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.781 1.232 . . . . 0.0 113.089 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -42.57 90.93 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.965 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 91' ' ' LEU . 46.8 t -51.63 -34.39 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 118.997 0.817 . . . . 0.0 111.345 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -74.85 -42.97 56.94 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.181 -1.574 . . . . 0.0 112.694 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.66 -52.05 42.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.65 0.78 . . . . 0.0 112.137 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 91' ' ' LEU . 11.1 p -54.55 -39.81 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.194 0.907 . . . . 0.0 111.871 175.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.1 m-85 -60.15 -29.71 68.84 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.812 0.733 . . . . 0.0 112.75 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -77.4 -30.84 53.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.935 1.294 . . . . 0.0 112.416 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.97 -53.25 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.045 -1.034 . . . . 0.0 111.132 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.37 -9.84 59.68 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -56.5 -22.9 35.81 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -82.89 121.62 27.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.179 0.992 . . . . 0.0 112.07 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.655 ' HA ' HD21 ' A' ' 65' ' ' LEU . 2.1 mppt? -90.55 14.09 14.12 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.59 6.07 31.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 0.0 113.459 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -78.44 -8.18 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 126.084 1.753 . . . . 0.0 113.941 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -48.39 115.63 1.29 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.555 1.942 . . . . 0.0 113.106 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.732 HG21 ' HG3' ' A' ' 40' ' ' ARG . 7.9 p -80.3 152.7 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.827 -0.546 . . . . 0.0 111.25 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.17 140.25 58.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.017 . . . . 0.0 111.471 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -57.74 -25.08 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -73.54 -60.28 2.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.269 1.027 . . . . 0.0 110.916 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -62.54 -24.6 67.6 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.204 1.001 . . . . 0.0 112.691 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -49.87 -44.26 49.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.7 1.2 . . . . 0.0 112.862 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.15 -32.29 66.23 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.15 -41.44 14.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.397 1.479 . . . . 0.0 111.928 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.732 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.2 mmt180 -54.07 -35.1 61.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.104 1.362 . . . . 0.0 111.989 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.81 -42.45 68.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.808 0.843 . . . . 0.0 110.261 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -65.12 -56.51 12.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.98 1.312 . . . . 0.0 113.308 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.54 -49.84 69.31 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.623 0.647 . . . . 0.0 111.421 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -62.42 -35.34 78.94 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.117 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.56 65.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.716 1.206 . . . . 0.0 112.412 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -76.44 -39.37 53.57 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.331 -0.855 . . . . 0.0 111.381 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -55.37 -20.75 12.83 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.84 -19.48 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.338 1.055 . . . . 0.0 112.913 177.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -120.42 -32.74 4.03 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.931 1.692 . . . . 0.0 112.01 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -111.87 -32.9 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.058 1.343 . . . . 0.0 112.255 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.1 145.46 46.39 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 125.813 1.673 . . . . 0.0 111.937 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -82.83 179.14 7.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.158 -1.021 . . . . 0.0 113.257 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 13' ' ' ILE . 3.6 p -47.89 -50.76 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.316 1.447 . . . . 0.0 113.524 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -59.92 -30.0 68.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.041 1.336 . . . . 0.0 112.229 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.2 mt-10 -85.42 -45.18 12.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.606 1.562 . . . . 0.0 112.22 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.44 -51.18 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.464 1.506 . . . . 0.0 111.474 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.76 80.66 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.59 -36.72 79.25 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 48' ' ' ILE . 83.2 t -65.35 -61.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 123.811 0.844 . . . . 0.0 111.009 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.49 -32.83 65.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.3 ttp180 -59.58 -57.04 14.67 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 125.557 1.543 . . . . 0.0 109.872 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.38 -56.55 9.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.26 -0.4 . . . . 0.0 111.03 175.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.29 -40.07 58.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.173 0.989 . . . . 0.0 113.12 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.88 -50.46 62.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.655 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.0 mp -67.86 -19.33 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -47.53 68.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.647 1.112 . . . . 0.0 112.125 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -85.79 -28.52 24.47 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.431 0.692 . . . . 0.0 111.574 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.05 17.79 78.82 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.85 1.214 . . . . 0.0 113.47 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.21 171.6 17.15 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.921 1.688 . . . . 0.0 111.516 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -26.42 64.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -94.33 79.18 3.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.347 1.459 . . . . 0.0 112.339 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.639 HD12 HD22 ' A' ' 80' ' ' LEU . 33.7 mt -68.37 163.4 23.22 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.237 1.015 . . . . 0.0 112.609 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.7 m -63.96 152.7 39.3 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.899 -0.501 . . . . 0.0 111.334 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -51.46 -43.53 62.13 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.927 0.891 . . . . 0.0 111.977 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 -52.54 46.26 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.46 1.029 . . . . 0.0 113.038 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -55.07 -43.34 73.79 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.705 1.252 . . . . 0.0 111.889 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -56.03 -29.4 60.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.344 1.058 . . . . 0.0 113.31 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -55.32 35.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.871 1.268 . . . . 0.0 111.638 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttm -76.16 -39.79 54.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.574 0.749 . . . . 0.0 111.898 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 HD12 ' A' ' 72' ' ' LEU . 1.9 tp -56.14 -48.14 76.84 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.458 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.21 -41.14 26.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.534 1.133 . . . . 0.0 112.842 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -73.61 -51.42 16.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.376 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.52 67.25 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.919 0.887 . . . . 0.0 113.262 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -53.82 41.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.05 2.14 . . . . 0.0 110.643 174.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -60.25 -20.73 60.19 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.36 1.064 . . . . 0.0 112.698 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.43 -40.14 11.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.49 1.516 . . . . 0.0 112.447 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 106' ' ' LEU . 13.6 tp -47.46 -59.78 2.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.121 1.368 . . . . 0.0 110.616 176.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -18.23 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -65.34 -43.52 90.66 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.163 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.5 -48.99 11.98 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.815 0.817 . . . . 0.0 109.556 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 18' ' ' VAL . 86.4 mt -63.15 -19.02 64.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.822 1.649 . . . . 0.0 113.3 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.61 -38.13 1.91 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.312 2.645 . . . . 0.0 113.161 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -59.52 4.62 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.757 1.223 . . . . 0.0 112.459 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.604 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -78.99 -21.94 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -45.53 54.61 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.909 1.284 . . . . 0.0 111.108 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 48.05 28.64 1.52 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.991 2.116 . . . . 0.0 114.128 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.03 -163.74 1.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.279 2.231 . . . . 0.0 111.835 -170.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 m -66.84 161.74 23.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.863 1.265 . . . . 0.0 111.902 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -55.52 -28.3 53.9 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 121.099 -1.0 . . . . 0.0 113.245 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -27.37 13.23 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.965 1.706 . . . . 0.0 112.864 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.54 -52.23 65.55 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.813 1.188 . . . . 0.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.28 -47.17 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.548 1.139 . . . . 0.0 112.26 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.34 -45.81 80.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.674 0.79 . . . . 0.0 111.444 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -74.61 -32.5 62.34 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.04 -23.77 62.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.951 1.25 . . . . 0.0 111.923 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 87' ' ' LEU . 90.5 mt -56.56 -31.88 64.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.099 0.863 . . . . 0.0 111.697 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -60.18 -29.38 68.65 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -92.41 -23.7 19.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.595 1.958 . . . . 0.0 112.624 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 25' ' ' LEU . 51.2 mt -82.04 -43.24 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.041 1.336 . . . . 0.0 111.936 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.672 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -108.7 5.64 25.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.709 1.204 . . . . 0.0 113.235 -177.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 CA--C 1.552 1.046 0 C-N-CA 127.17 2.188 . . . . 0.0 113.381 -178.068 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -137.63 -36.75 0.62 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.729 1.612 . . . . 0.0 112.395 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.05 114.14 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.463 1.105 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.69 175.85 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.346 1.858 . . . . 0.0 112.067 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -112.58 179.32 4.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.13 1.772 . . . . 0.0 110.67 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.06 -24.97 11.14 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.49 -56.2 24.26 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.274 1.029 . . . . 0.0 112.947 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -42.83 89.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.07 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.76 HG11 ' HB3' ' A' ' 94' ' ' ALA . 67.5 t -54.7 -49.32 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.969 0.804 . . . . 0.0 110.037 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -65.69 -29.63 70.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.082 -1.011 . . . . 0.0 113.113 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.68 -55.96 5.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 112.771 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 91' ' ' LEU . 8.8 p -55.08 -39.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.068 1.347 . . . . 0.0 111.032 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -58.82 -32.36 69.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.241 0.616 . . . . 0.0 112.091 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -24.15 46.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.822 1.249 . . . . 0.0 113.638 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.03 -53.86 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.768 1.227 . . . . 0.0 110.387 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -81.18 -9.54 59.78 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -58.94 -29.96 67.51 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.03 134.04 40.21 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.53 1.132 . . . . 0.0 110.926 175.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -90.67 -2.62 57.83 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -83.39 18.38 1.83 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.94 1.696 . . . . 0.0 114.376 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 65' ' ' LEU . 2.3 pp -103.37 7.18 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.096 2.559 . . . . 0.0 113.163 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 p -49.83 127.18 15.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.292 1.437 . . . . 0.0 112.856 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.44 127.97 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.58 1.152 . . . . 0.0 109.79 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.4 140.84 58.91 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.352 1.061 . . . . 0.0 112.513 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -33.22 75.19 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.2 m -64.22 -42.94 96.37 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.225 -0.922 . . . . 0.0 111.393 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -82.5 -20.36 36.91 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.802 1.241 . . . . 0.0 112.493 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -44.59 68.39 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 0.0 112.673 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -52.63 -34.36 50.96 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -86.63 -40.82 14.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.082 1.353 . . . . 0.0 111.341 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -55.19 -33.92 63.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.784 1.634 . . . . 0.0 112.515 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.42 -40.74 68.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.615 0.766 . . . . 0.0 110.676 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -66.93 -55.93 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.435 1.494 . . . . 0.0 113.077 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.56 -52.65 61.41 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.645 0.657 . . . . 0.0 110.773 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -59.84 -36.0 75.91 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.078 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -31.58 62.94 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.18 1.355 . . . . 0.0 112.908 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.96 -38.62 36.56 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.314 -0.866 . . . . 0.0 111.311 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -19.51 17.62 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.763 HD11 HG11 ' A' ' 59' ' ' VAL . 4.0 mm -73.15 -17.32 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.694 1.198 . . . . 0.0 113.123 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -122.64 -31.89 3.66 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.907 1.683 . . . . 0.0 112.045 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 p -116.89 -28.48 6.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.359 1.464 . . . . 0.0 112.257 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.19 140.42 37.59 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 125.006 1.289 . . . . 0.0 111.265 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.15 174.86 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.259 -0.97 . . . . 0.0 112.455 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -47.07 -51.32 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.008 1.723 . . . . 0.0 113.082 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.08 -33.92 69.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.836 1.255 . . . . 0.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.66 -46.23 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.399 1.08 . . . . 0.0 113.507 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.9 mm -50.83 -50.58 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.714 1.597 . . . . 0.0 111.653 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.6 89.77 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.36 -35.43 80.37 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.787 -1.196 . . . . 0.0 113.399 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 48' ' ' ILE . 80.3 t -59.57 -66.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.807 0.843 . . . . 0.0 110.277 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -57.45 -32.86 67.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -57.23 -57.32 13.12 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.956 1.702 . . . . 0.0 110.292 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.06 -45.84 79.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.904 -0.569 . . . . 0.0 109.788 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.88 -37.86 77.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.475 1.11 . . . . 0.0 113.618 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.5 m-85 -68.09 -50.69 53.38 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.899 0.772 . . . . 0.0 113.081 175.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 30' ' ' ILE . 5.6 mp -70.24 -23.51 62.92 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.506 -0.746 . . . . 0.0 112.673 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.35 -35.92 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.834 1.254 . . . . 0.0 111.321 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD3' ' H ' ' A' ' 73' ' ' SER . 2.6 tptt -93.54 -32.15 14.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.058 0.543 . . . . 0.0 112.189 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.0 11.42 66.69 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.212 0.91 . . . . 0.0 114.339 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -130.62 157.34 43.0 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.141 1.776 . . . . 0.0 111.42 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.94 -38.65 91.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.118 1.367 . . . . 0.0 112.992 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 86.34 5.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.859 1.664 . . . . 0.0 109.898 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD12 HD22 ' A' ' 80' ' ' LEU . 60.6 mt -66.28 159.52 26.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.681 0.792 . . . . 0.0 112.227 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' HD3' ' A' ' 67' ' ' LYS . 2.1 m -65.58 152.85 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.711 0.804 . . . . 0.0 110.504 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -50.15 -43.99 52.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.086 0.954 . . . . 0.0 112.472 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.05 80.72 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.571 1.082 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.63 -45.02 66.0 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.814 1.307 . . . . 0.0 111.535 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -50.24 -36.73 32.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.424 1.489 . . . . 0.0 112.885 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -50.48 -59.18 4.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.21 1.804 . . . . 0.0 113.368 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 ttm -76.28 -33.59 59.11 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.913 0.779 . . . . 0.0 111.882 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.766 HD22 HD12 ' A' ' 72' ' ' LEU . 4.5 tp -54.0 -49.19 69.4 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.53 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -52.68 -39.37 61.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.56 1.144 . . . . 0.0 111.947 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -51.95 35.13 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.408 1.083 . . . . 0.0 111.364 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.79 68.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -64.68 -53.41 47.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.12 2.168 . . . . 0.0 111.348 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -22.46 56.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.921 0.889 . . . . 0.0 112.56 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.39 -39.41 11.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.225 1.41 . . . . 0.0 113.129 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 106' ' ' LEU . 16.3 tp -48.46 -57.56 5.93 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.503 1.521 . . . . 0.0 110.364 176.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 118.655 -0.688 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -45.63 85.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.415 1.486 . . . . 0.0 112.712 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.85 -48.83 10.33 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.117 0.961 . . . . 0.0 109.815 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 18' ' ' VAL . 90.6 mt -60.73 -22.29 63.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.809 2.044 . . . . 0.0 113.608 177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -28.08 2.45 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.225 2.61 . . . . 0.0 113.868 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -67.52 0.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.819 1.247 . . . . 0.0 111.218 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.76 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.12 -19.77 61.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -46.62 53.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.092 1.357 . . . . 0.0 111.962 175.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.6 t70 47.35 27.95 0.99 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 126.611 1.964 . . . . 0.0 114.655 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.38 -167.31 2.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.327 2.251 . . . . 0.0 111.715 -169.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.38 158.79 25.67 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.858 -1.151 . . . . 0.0 111.651 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -54.66 -28.05 44.48 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.286 -0.884 . . . . 0.0 112.854 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.26 -26.54 12.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.043 1.737 . . . . 0.0 112.217 174.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -59.78 4.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.405 1.457 . . . . 0.0 109.603 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.5 mt -79.51 -42.99 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.479 1.112 . . . . 0.0 111.619 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.84 -49.33 71.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.021 0.929 . . . . 0.0 111.441 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -74.87 -28.18 60.55 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -25.75 48.81 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.765 1.62 . . . . 0.0 112.71 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 87' ' ' LEU . 82.6 mt -54.42 -34.53 61.52 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.669 0.788 . . . . 0.0 112.181 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -63.0 -32.21 73.51 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.896 0.878 . . . . 0.0 113.122 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.83 -25.17 24.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.88 2.072 . . . . 0.0 113.086 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' LEU . 63.3 mt -76.48 -67.03 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.486 1.115 . . . . 0.0 109.975 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.3 m-85 -83.99 2.68 37.81 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.896 1.679 . . . . 0.0 113.224 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 CA--C 1.55 0.981 0 C-N-CA 127.401 2.28 . . . . 0.0 113.005 -177.824 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.709 0.29 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -162.57 -42.64 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.258 1.423 . . . . 0.0 110.828 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -43.63 106.34 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.349 1.86 . . . . 0.0 115.391 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.434 HD13 ' OD1' ' A' ' 17' ' ' ASP . 2.8 pp -148.04 176.4 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.606 1.962 . . . . 0.0 113.519 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -122.13 177.56 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.189 2.195 . . . . 0.0 111.748 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -27.27 9.44 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.621 1.168 . . . . 0.0 113.749 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.18 -57.89 10.89 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.446 1.021 . . . . 0.0 112.99 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' OD1' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -55.3 -38.2 68.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.962 0.905 . . . . 0.0 110.8 175.11 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 94' ' ' ALA . 70.9 t -56.79 -42.02 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -175.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -36.25 83.3 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.107 -0.995 . . . . 0.0 112.941 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.79 -53.95 23.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.748 1.219 . . . . 0.0 112.452 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.554 ' CG1' HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.67 -38.74 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.041 1.291 . . . . 0.0 111.594 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m-85 -61.91 -28.28 69.41 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -77.54 -30.61 52.86 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.084 1.353 . . . . 0.0 112.598 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -52.57 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -78.72 -11.09 59.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 176.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -56.03 -27.83 54.82 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.848 1.259 . . . . 0.0 114.382 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.8 145.35 42.98 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.318 1.047 . . . . 0.0 112.98 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 65' ' ' LEU . 1.8 mmmm -112.31 -3.53 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.167 1.387 . . . . 0.0 113.994 -175.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.88 6.22 49.12 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.403 1.881 . . . . 0.0 112.838 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 HD22 ' A' ' 65' ' ' LEU . 2.2 pp -75.17 -12.43 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.584 1.953 . . . . 0.0 113.837 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.5 p -46.88 104.24 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.657 2.383 . . . . 0.0 113.225 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.4 p -70.53 156.96 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.493 0.663 . . . . 0.0 112.548 -176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.94 148.47 47.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.658 1.183 . . . . 0.0 112.657 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 p -68.2 -35.37 77.88 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -66.7 -47.54 72.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.062 0.945 . . . . 0.0 110.486 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.7 m -68.89 -26.28 65.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.803 1.241 . . . . 0.0 113.079 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -52.82 -42.87 65.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.239 1.016 . . . . 0.0 112.705 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.64 -40.43 62.78 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.176 0.99 . . . . 0.0 113.066 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -82.61 -38.14 23.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.878 1.271 . . . . 0.0 111.646 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.6 mmt180 -55.77 -35.36 66.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.996 1.318 . . . . 0.0 112.148 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.37 -44.64 68.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.737 0.815 . . . . 0.0 110.613 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -60.68 -61.26 2.72 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.057 1.343 . . . . 0.0 112.3 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.67 -50.32 66.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.714 0.688 . . . . 0.0 111.383 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -59.88 -36.02 76.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.377 -0.82 . . . . 0.0 112.93 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -30.14 67.15 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.881 1.219 . . . . 0.0 112.588 174.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.82 -36.5 31.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.15 0.98 . . . . 0.0 111.665 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -18.08 23.26 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 175.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.811 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.86 -26.02 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.465 1.106 . . . . 0.0 112.922 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.07 -24.44 5.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.885 1.274 . . . . 0.0 113.659 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -110.61 -26.15 9.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.236 1.415 . . . . 0.0 112.682 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.83 156.55 47.83 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 124.514 1.054 . . . . 0.0 111.534 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.75 175.67 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.346 -0.927 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 p -52.01 -44.33 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.703 1.601 . . . . 0.0 111.45 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -62.54 -40.16 95.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.453 1.501 . . . . 0.0 110.971 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.1 mt-10 -72.49 -46.67 53.72 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.5 mm -48.48 -48.54 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.327 1.421 . . . . 0.0 111.358 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -59.9 -47.49 85.57 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.45 -34.87 74.62 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 48' ' ' ILE . 89.3 t -63.0 -62.98 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 124.441 1.096 . . . . 0.0 110.473 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.72 -32.98 69.7 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -59.9 -55.75 30.28 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.279 1.432 . . . . 0.0 110.169 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.12 62.22 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.079 0.237 . . . . 0.0 110.692 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.3 -43.86 61.77 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.965 1.306 . . . . 0.0 112.822 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.27 -50.57 65.24 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD22 HG13 ' A' ' 30' ' ' ILE . 5.9 mp -70.5 -25.26 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.289 -0.882 . . . . 0.0 112.375 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.55 -33.9 70.42 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.248 1.419 . . . . 0.0 111.935 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -32.32 15.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.982 0.913 . . . . 0.0 112.628 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.89 18.27 79.56 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.236 0.922 . . . . 0.0 114.585 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.93 177.51 10.07 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.779 1.631 . . . . 0.0 112.499 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -34.13 58.5 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.59 78.57 2.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.568 1.947 . . . . 0.0 110.94 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.675 HD12 HD22 ' A' ' 80' ' ' LEU . 12.2 mt -61.53 158.58 14.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 112.692 -177.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.2 t -63.0 152.32 37.21 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.071 0.948 . . . . 0.0 110.708 175.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.8 -39.48 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.719 0.808 . . . . 0.0 112.219 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.86 -52.05 54.49 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.389 0.995 . . . . 0.0 113.748 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -70.43 -41.79 72.43 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.595 1.158 . . . . 0.0 111.986 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -33.6 34.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.018 1.727 . . . . 0.0 112.665 178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -52.75 -59.78 4.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.786 1.634 . . . . 0.0 113.038 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.22 -36.8 58.41 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.184 0.594 . . . . 0.0 112.328 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD22 HD12 ' A' ' 72' ' ' LEU . 4.7 tp -54.12 -48.75 70.44 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.796 0.838 . . . . 0.0 111.688 176.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 -38.51 56.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.64 1.176 . . . . 0.0 112.569 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -70.16 -53.64 16.33 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.393 1.077 . . . . 0.0 110.91 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.23 69.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.15 -55.14 23.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.159 2.184 . . . . 0.0 110.144 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -60.43 -22.76 63.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.287 1.035 . . . . 0.0 112.817 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 mt -92.46 -32.35 14.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.094 1.758 . . . . 0.0 114.639 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 106' ' ' LEU . 12.2 tp -54.71 -61.25 2.43 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.133 1.373 . . . . 0.0 109.015 175.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -22.0 28.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-O 118.232 -0.89 . . . . 0.0 112.737 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -53.99 -55.25 28.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.322 1.449 . . . . 0.0 111.223 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.61 -39.9 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD21 ' CG1' ' A' ' 21' ' ' VAL . 80.4 mt -62.72 -19.5 63.98 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -44.54 -35.52 2.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 128.191 2.596 . . . . 0.0 113.222 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -70.41 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.636 1.574 . . . . 0.0 112.498 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.914 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.74 -19.59 62.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -45.16 48.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.69 1.196 . . . . 0.0 111.58 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 47.19 28.52 1.0 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.691 1.996 . . . . 0.0 114.386 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.81 -166.6 1.91 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.498 2.319 . . . . 0.0 111.676 -169.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -67.31 156.61 36.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.6 1.16 . . . . 0.0 111.467 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -53.86 -28.27 35.09 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.147 -0.97 . . . . 0.0 113.02 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -26.13 5.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.76 2.024 . . . . 0.0 112.75 174.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -59.87 4.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.679 1.127 . . . . 0.0 109.11 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.2 -43.07 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.505 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -56.03 -49.94 72.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.794 0.838 . . . . 0.0 111.297 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -74.83 -28.43 60.69 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.65 -25.79 29.1 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.738 1.608 . . . . 0.0 112.284 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.605 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -53.84 -32.4 52.78 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.623 0.769 . . . . 0.0 111.746 175.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -66.06 -30.19 70.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.018 0.927 . . . . 0.0 113.159 174.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -90.09 -19.98 23.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.011 2.124 . . . . 0.0 113.308 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 25' ' ' LEU . 59.9 mt -85.87 -63.2 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.15 1.38 . . . . 0.0 109.626 174.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.605 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.5 m-85 -84.3 2.69 39.01 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.552 1.541 . . . . 0.0 113.398 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 . . . . . 0 CA--C 1.547 0.856 0 C-N-CA 128.169 2.588 . . . . 0.0 113.947 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.36 -33.97 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.347 1.459 . . . . 0.0 112.494 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -59.24 111.13 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.767 1.227 . . . . 0.0 111.826 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -139.58 175.29 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.852 1.661 . . . . 0.0 112.69 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -115.2 175.71 5.39 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.991 2.116 . . . . 0.0 110.857 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.18 -27.12 8.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.527 1.131 . . . . 0.0 113.936 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.02 -55.24 35.2 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.746 1.157 . . . . 0.0 113.171 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -42.62 80.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.128 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG11 ' HB3' ' A' ' 94' ' ' ALA . 61.6 t -55.21 -42.1 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 118.371 0.532 . . . . 0.0 110.164 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -31.06 68.0 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.476 -1.39 . . . . 0.0 112.709 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -76.82 -54.5 6.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.372 1.469 . . . . 0.0 113.035 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 8.8 p -54.66 -37.67 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.337 1.055 . . . . 0.0 111.6 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -60.11 -30.56 69.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.262 0.625 . . . . 0.0 112.28 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -78.5 -29.75 46.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.216 1.406 . . . . 0.0 112.417 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.4 -53.12 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.302 1.041 . . . . 0.0 111.098 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -80.77 -9.77 59.78 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -54.86 -28.94 53.84 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -75.19 141.4 43.62 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.956 0.902 . . . . 0.0 112.877 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 -7.33 15.02 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -86.14 6.41 29.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.746 1.618 . . . . 0.0 113.252 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.453 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -73.02 -12.46 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.174 1.79 . . . . 0.0 113.667 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -48.05 104.16 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.885 2.074 . . . . 0.0 113.292 -171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG21 ' HG3' ' A' ' 40' ' ' ARG . 9.9 p -68.02 149.83 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.342 0.657 . . . . 0.0 112.079 -176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.39 151.84 46.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.037 0.935 . . . . 0.0 111.857 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.6 p -62.19 -46.64 88.04 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.8 m -60.71 -38.66 85.81 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.189 -0.945 . . . . 0.0 111.763 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -76.66 -28.25 55.9 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.896 0.879 . . . . 0.0 111.937 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 66' ' ' LEU . 8.7 t-105 -57.0 -47.52 80.65 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.961 1.304 . . . . 0.0 112.77 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -51.22 -32.21 23.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.816 0.847 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -86.89 -44.47 11.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.706 1.602 . . . . 0.0 111.88 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.667 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.3 mmt180 -53.49 -33.44 54.33 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.02 1.728 . . . . 0.0 112.712 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.01 -41.19 64.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.913 0.885 . . . . 0.0 111.065 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -67.56 -56.22 10.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.881 1.672 . . . . 0.0 112.478 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.2 -51.18 67.38 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.368 0.531 . . . . 0.0 111.565 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.3 m-30 -61.57 -34.21 75.2 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.938 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -33.69 67.52 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.707 1.14 . . . . 0.0 112.236 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -78.68 -37.25 42.23 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.236 -0.915 . . . . 0.0 111.521 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -54.05 -23.65 14.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 59' ' ' VAL . 4.9 mm -67.47 -21.61 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.86 1.264 . . . . 0.0 112.506 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -119.99 -31.98 4.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.334 1.854 . . . . 0.0 112.348 -173.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.5 p -116.09 -26.55 7.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.142 1.377 . . . . 0.0 112.622 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.9 152.49 47.38 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 124.797 1.189 . . . . 0.0 111.487 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.3 178.43 6.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.982 -1.109 . . . . 0.0 112.594 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -47.76 -52.07 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.295 1.438 . . . . 0.0 113.31 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.26 -30.05 68.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.291 1.437 . . . . 0.0 111.941 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.2 mt-10 -84.74 -46.4 11.46 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.484 1.114 . . . . 0.0 113.297 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.4 mm -50.01 -49.43 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 120.167 1.348 . . . . 0.0 110.77 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.54 93.11 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.72 -30.48 71.5 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.484 -1.385 . . . . 0.0 114.257 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.76 HG11 HD11 ' A' ' 48' ' ' ILE . 81.8 t -65.78 -63.73 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.324 1.05 . . . . 0.0 110.111 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.11 -30.59 66.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.136 0.575 . . . . 0.0 112.548 -179.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.36 -55.97 28.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.193 1.797 . . . . 0.0 111.573 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -53.03 58.41 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.6 0.562 . . . . 0.0 110.234 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -52.76 -44.79 66.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.086 1.354 . . . . 0.0 113.441 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -61.67 -50.74 71.28 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.222 1.009 . . . . 0.0 113.355 176.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD12 HD11 ' A' ' 30' ' ' ILE . 45.0 mt -71.43 -28.8 64.24 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.658 -0.651 . . . . 0.0 112.713 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 37' ' ' TRP . 10.9 mt -59.41 -37.15 77.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.468 1.107 . . . . 0.0 111.256 174.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.23 -32.3 58.83 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.465 0.706 . . . . 0.0 112.234 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.71 11.61 69.32 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.513 1.054 . . . . 0.0 114.462 -173.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.73 176.37 12.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.849 1.659 . . . . 0.0 111.541 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -31.26 60.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.345 1.458 . . . . 0.0 114.223 177.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.12 84.5 6.91 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.834 1.254 . . . . 0.0 111.375 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -59.92 150.25 29.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -63.8 159.9 18.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.931 0.492 . . . . 0.0 110.965 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.91 -45.35 67.54 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.771 0.714 . . . . 0.0 112.106 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.77 -52.67 18.9 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 119.375 -0.681 . . . . 0.0 112.234 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.725 1.263 . . . . 0.0 112.673 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.17 -30.29 64.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.161 0.985 . . . . 0.0 112.423 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -51.58 69.12 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.646 1.178 . . . . 0.0 111.972 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -76.44 -41.47 47.37 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 72' ' ' LEU . 4.1 tp -55.47 -46.65 76.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.549 0.74 . . . . 0.0 111.851 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -50.63 -40.16 52.35 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.752 1.221 . . . . 0.0 112.866 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.75 -49.6 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.117 0.967 . . . . 0.0 111.067 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.77 -29.44 69.42 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -63.89 -55.07 25.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.015 2.126 . . . . 0.0 110.903 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -59.78 -20.33 56.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.29 1.036 . . . . 0.0 112.634 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.38 -40.68 10.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.429 1.491 . . . . 0.0 112.944 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 106' ' ' LEU . 14.2 tp -48.46 -56.81 7.25 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.032 1.333 . . . . 0.0 110.973 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -15.69 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -69.38 -42.43 75.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.204 1.802 . . . . 0.0 112.467 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.3 -49.1 11.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.697 0.76 . . . . 0.0 109.731 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.675 HD22 HG13 ' A' ' 18' ' ' VAL . 94.8 mt -62.73 -19.25 63.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.021 1.728 . . . . 0.0 113.704 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -34.39 1.8 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 128.127 2.571 . . . . 0.0 113.743 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -68.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.556 1.542 . . . . 0.0 112.478 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.71 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.66 -19.63 62.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -45.3 62.39 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.771 1.228 . . . . 0.0 111.671 174.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t0 42.12 37.37 0.85 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 127.068 2.147 . . . . 0.0 113.675 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.03 -167.29 1.04 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.891 2.076 . . . . 0.0 111.815 -170.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 m -66.21 158.14 29.6 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.841 1.256 . . . . 0.0 111.524 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -55.3 -27.71 48.66 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.277 -0.889 . . . . 0.0 113.072 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.62 -25.48 10.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.811 1.644 . . . . 0.0 112.819 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -59.62 4.46 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.178 1.353 . . . . 0.0 108.976 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.38 -40.34 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.193 0.997 . . . . 0.0 111.784 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.88 -47.05 81.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.434 0.694 . . . . 0.0 111.405 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 m -74.69 -29.34 61.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.782 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -22.24 23.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.085 1.766 . . . . 0.0 112.922 175.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.657 HD22 ' CE2' ' A' ' 110' ' ' PHE . 84.7 mt -57.02 -37.98 72.49 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.796 -1.19 . . . . 0.0 111.767 174.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -24.95 66.77 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.638 0.654 . . . . 0.0 112.201 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.5 -26.65 26.12 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.677 1.591 . . . . 0.0 113.077 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 25' ' ' LEU . 36.2 mt -86.04 -67.7 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.135 1.374 . . . . 0.0 109.97 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.657 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.2 m-85 -78.79 -9.26 59.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.0 1.32 . . . . 0.0 113.09 -174.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t30 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 127.648 2.379 . . . . 0.0 114.036 177.088 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -35.33 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.471 1.508 . . . . 0.0 112.051 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.1 116.92 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.565 1.146 . . . . 0.0 112.049 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 53' ' ' VAL . 2.6 pp -147.98 168.52 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.125 1.77 . . . . 0.0 112.086 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 p -110.75 176.5 5.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.332 1.853 . . . . 0.0 111.427 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.48 -32.17 26.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.011 0.924 . . . . 0.0 112.961 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.6 -55.83 19.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.074 0.95 . . . . 0.0 112.59 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.16 -36.86 85.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.725 0.81 . . . . 0.0 111.512 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.0 t -55.45 -49.34 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.089 0.955 . . . . 0.0 110.272 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.57 75.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.591 -0.693 . . . . 0.0 112.303 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.47 -55.65 9.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.687 1.195 . . . . 0.0 112.002 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 91' ' ' LEU . 13.4 p -56.53 -42.44 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 119.019 0.827 . . . . 0.0 111.532 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.1 m-85 -54.57 -36.94 64.9 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.057 0.844 . . . . 0.0 112.082 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -27.04 67.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 0.0 114.061 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.21 -46.47 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.694 1.197 . . . . 0.0 110.45 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -83.21 -12.25 57.03 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 177.653 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -22.42 58.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.73 1.212 . . . . 0.0 114.053 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.03 121.81 28.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.856 0.862 . . . . 0.0 111.509 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.3 -9.83 58.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.173 0.989 . . . . 0.0 113.436 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.98 4.48 14.18 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.932 1.693 . . . . 0.0 114.0 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 65' ' ' LEU . 2.5 pp -79.69 -10.79 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.538 1.935 . . . . 0.0 113.724 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -46.39 104.09 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.333 2.253 . . . . 0.0 113.235 -174.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.614 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.7 p -68.85 150.32 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.353 0.597 . . . . 0.0 112.539 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 147.67 49.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.729 1.212 . . . . 0.0 112.017 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.68 86.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.475 1.11 . . . . 0.0 113.667 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -66.72 -44.24 82.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.651 -0.656 . . . . 0.0 110.797 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 m -73.35 -26.54 61.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.494 1.118 . . . . 0.0 112.641 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -53.47 -53.2 54.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.827 1.251 . . . . 0.0 112.86 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -54.59 -28.96 50.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.87 -45.67 34.35 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.614 ' HG3' HG21 ' A' ' 32' ' ' VAL . 7.2 mmt180 -61.78 -30.81 71.05 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.44 1.496 . . . . 0.0 113.002 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -50.64 -39.14 49.7 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.044 0.938 . . . . 0.0 110.542 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.08 -63.31 1.19 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.508 1.523 . . . . 0.0 112.993 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.47 -50.51 59.69 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.567 0.622 . . . . 0.0 111.534 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.665 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.4 m-30 -59.77 -38.74 82.65 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.09 0.956 . . . . 0.0 112.726 177.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -58.78 -30.2 67.39 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.921 1.237 . . . . 0.0 112.293 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.7 -32.82 31.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.344 -0.847 . . . . 0.0 111.946 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -59.1 -19.17 42.03 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.586 -0.696 . . . . 0.0 112.635 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.16 -20.98 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.318 1.047 . . . . 0.0 112.481 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -32.04 4.27 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.507 1.523 . . . . 0.0 112.497 -177.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 p -110.94 -25.69 9.69 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.105 1.362 . . . . 0.0 112.577 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.02 146.59 32.33 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 124.863 1.22 . . . . 0.0 111.158 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -177.42 6.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.954 -1.123 . . . . 0.0 113.678 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 13' ' ' ILE . 6.0 p -47.32 -52.36 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.743 1.217 . . . . 0.0 113.352 174.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -60.63 -35.07 75.27 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.674 1.189 . . . . 0.0 111.663 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.1 mt-10 -78.47 -48.96 14.29 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.961 1.304 . . . . 0.0 112.016 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.16 -50.06 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.286 1.434 . . . . 0.0 111.27 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -63.61 -33.15 74.97 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.13 -33.45 67.79 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.913 -1.117 . . . . 0.0 112.342 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 44' ' ' TYR . 89.9 t -62.72 -65.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.93 1.292 . . . . 0.0 110.122 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.723 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.0 -32.52 67.98 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.83 -52.87 63.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 126.65 1.98 . . . . 0.0 111.191 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -51.47 61.21 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.693 0.62 . . . . 0.0 110.299 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.55 -47.15 80.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 175.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.9 m-85 -55.99 -46.49 78.68 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.982 -1.074 . . . . 0.0 113.211 175.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 30' ' ' ILE . 38.5 mt -74.79 -25.92 59.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.43 -34.81 69.34 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.88 1.272 . . . . 0.0 112.157 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -81.2 -32.14 33.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.013 0.925 . . . . 0.0 112.287 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.57 -4.7 83.83 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.944 1.735 . . . . 0.0 114.895 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.72 167.22 25.2 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.043 2.137 . . . . 0.0 111.18 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -12.28 60.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.51 67.96 5.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.497 2.319 . . . . 0.0 111.562 177.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 80' ' ' LEU . 5.6 mp -60.56 151.12 29.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.82 1.248 . . . . 0.0 112.902 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -76.37 170.55 16.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.272 0.629 . . . . 0.0 110.83 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.0 -50.7 60.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.865 1.266 . . . . 0.0 112.727 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.62 -39.43 95.1 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 123.686 0.66 . . . . 0.0 113.753 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -72.87 -48.16 39.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.9 0.88 . . . . 0.0 110.435 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.52 -34.98 52.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.73 1.612 . . . . 0.0 112.938 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -59.52 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.399 1.48 . . . . 0.0 113.081 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.42 -41.0 49.18 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.02 0.528 . . . . 0.0 111.778 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 72' ' ' LEU . 8.0 tp -53.65 -45.93 70.38 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.913 0.885 . . . . 0.0 111.712 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -49.48 -41.57 40.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.898 1.679 . . . . 0.0 112.866 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.86 -50.05 22.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.06 0.944 . . . . 0.0 111.031 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.64 71.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -54.84 31.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.587 2.355 . . . . 0.0 110.889 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -55.38 -24.37 29.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.482 1.513 . . . . 0.0 113.0 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.38 -38.85 11.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.4 1.08 . . . . 0.0 113.468 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD22 HD11 ' A' ' 60' ' ' LEU . 19.7 tp -48.35 -61.41 2.01 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.394 1.478 . . . . 0.0 110.454 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -19.08 25.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.691 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -46.74 86.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.133 1.773 . . . . 0.0 112.254 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.89 -48.6 12.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.72 0.772 . . . . 0.0 109.644 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 18' ' ' VAL . 93.1 mt -61.83 -20.26 63.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.303 1.841 . . . . 0.0 112.811 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.03 -38.18 1.57 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.579 2.751 . . . . 0.0 113.016 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -63.21 1.26 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.318 1.047 . . . . 0.0 111.903 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.639 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.45 -21.88 61.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -44.63 67.29 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.848 1.259 . . . . 0.0 111.881 175.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 42.81 35.39 0.71 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.806 2.042 . . . . 0.0 114.176 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.4 -165.99 0.93 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.403 2.281 . . . . 0.0 111.458 -169.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.43 159.66 29.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.389 1.075 . . . . 0.0 111.557 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.31 -27.77 49.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.845 0.858 . . . . 0.0 112.991 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -26.74 12.76 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.178 1.791 . . . . 0.0 112.672 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -59.53 4.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.907 1.231 . . . . 0.0 109.38 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.23 -43.09 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 123.782 0.833 . . . . 0.0 111.864 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.17 -45.81 79.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.567 0.747 . . . . 0.0 111.359 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -74.7 -34.28 62.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -55.37 -21.97 17.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.039 1.29 . . . . 0.0 112.941 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 87' ' ' LEU . 88.0 mt -52.82 -44.12 66.44 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 119.145 0.884 . . . . 0.0 112.228 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -59.72 -31.85 69.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.721 0.809 . . . . 0.0 112.621 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -80.85 -30.22 35.69 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.302 1.841 . . . . 0.0 113.135 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.825 HG21 HD12 ' A' ' 25' ' ' LEU . 32.2 mt -80.98 -65.49 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.892 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.9 m-85 -73.76 -5.94 43.88 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.169 1.787 . . . . 0.0 112.893 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 CA--C 1.548 0.882 0 C-N-CA 127.438 2.295 . . . . 0.0 112.837 179.211 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -156.09 -34.61 0.09 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.514 1.526 . . . . 0.0 112.249 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 115.45 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.892 1.277 . . . . 0.0 112.216 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.25 174.77 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.676 1.99 . . . . 0.0 112.132 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 p -111.99 177.17 4.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.945 1.698 . . . . 0.0 110.458 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.52 -22.58 8.44 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.088 1.355 . . . . 0.0 114.001 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -60.41 -54.2 48.42 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.826 1.25 . . . . 0.0 112.854 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -42.99 80.37 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.816 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD22 ' A' ' 91' ' ' LEU . 45.4 t -55.89 -29.78 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 123.752 0.658 . . . . 0.0 110.909 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -76.96 -49.87 14.5 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.29 -1.506 . . . . 0.0 111.126 175.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -58.94 -51.7 68.92 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.754 1.222 . . . . 0.0 112.341 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 91' ' ' LEU . 11.7 p -55.73 -46.54 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.963 1.305 . . . . 0.0 111.66 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.5 m-85 -55.5 -38.66 69.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.218 0.917 . . . . 0.0 111.312 175.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.71 69.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.143 1.377 . . . . 0.0 114.082 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.97 -47.07 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.406 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.85 -13.56 55.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 178.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -58.04 -27.06 63.24 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.019 1.327 . . . . 0.0 114.201 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -82.03 121.58 26.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.052 1.341 . . . . 0.0 111.955 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.57 -5.34 59.14 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.31 6.32 12.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.673 1.989 . . . . 0.0 114.125 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -85.25 -8.14 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.066 2.146 . . . . 0.0 114.091 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -46.55 104.9 0.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.351 2.26 . . . . 0.0 113.968 -171.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.27 122.37 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.881 1.272 . . . . 0.0 111.269 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 137.77 58.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.505 1.522 . . . . 0.0 112.582 176.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -60.02 -30.66 69.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.944 1.297 . . . . 0.0 114.462 -174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -63.45 -46.42 86.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.791 1.236 . . . . 0.0 111.534 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.2 m -79.62 -24.81 41.68 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.286 1.035 . . . . 0.0 112.104 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -50.3 -45.59 54.72 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.559 1.072 . . . . 0.0 113.116 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -53.07 -32.47 47.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.108 0.963 . . . . 0.0 112.877 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.8 -41.75 13.84 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.435 1.894 . . . . 0.0 112.0 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.16 61.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.165 . . . . 0.0 112.06 175.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.09 -41.82 62.72 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.074 0.95 . . . . 0.0 111.09 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -65.5 -58.23 6.31 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.714 1.206 . . . . 0.0 112.736 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.48 -48.31 71.97 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.826 0.739 . . . . 0.0 111.114 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.614 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.6 m-30 -62.28 -37.93 87.39 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.104 0.961 . . . . 0.0 113.02 177.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -35.11 65.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.75 1.159 . . . . 0.0 112.39 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.38 -39.01 48.75 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.318 -0.864 . . . . 0.0 111.546 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -53.87 -23.09 11.4 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.654 HD11 HG11 ' A' ' 59' ' ' VAL . 5.2 mm -68.65 -20.72 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.417 1.087 . . . . 0.0 112.71 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -120.09 -32.48 4.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.703 2.001 . . . . 0.0 112.428 -173.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -114.17 -28.91 7.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.083 1.353 . . . . 0.0 112.228 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.27 142.95 33.63 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 125.34 1.448 . . . . 0.0 111.589 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.45 177.4 9.01 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.15 -52.35 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.063 1.745 . . . . 0.0 113.508 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -59.95 -27.01 66.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.509 1.524 . . . . 0.0 112.888 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.69 -46.49 9.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.213 1.405 . . . . 0.0 111.811 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.9 mm -52.35 -47.54 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.186 1.394 . . . . 0.0 110.749 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -61.64 -36.56 81.14 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.5 -46.29 76.73 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.327 -0.858 . . . . 0.0 110.094 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 48' ' ' ILE . 89.7 t -51.05 -63.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.581 1.152 . . . . 0.0 110.986 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -62.15 -48.91 78.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.579 1.952 . . . . 0.0 111.373 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -52.86 -51.75 59.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.25 0.62 . . . . 0.0 109.942 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.86 -41.36 97.74 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.68 -50.53 73.49 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.946 0.794 . . . . 0.0 112.501 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 30' ' ' ILE . 38.9 mt -74.44 -19.33 60.44 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -35.24 72.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.902 1.281 . . . . 0.0 111.899 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 -28.83 14.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.665 1.186 . . . . 0.0 111.991 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.67 17.8 74.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.093 1.33 . . . . 0.0 113.997 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -151.42 179.31 8.45 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.606 1.962 . . . . 0.0 111.664 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -8.86 33.62 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.523 1.529 . . . . 0.0 114.383 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -94.99 57.08 2.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.41 1.884 . . . . 0.0 110.669 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 80' ' ' LEU . 16.2 mt -56.74 140.65 46.83 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.981 0.912 . . . . 0.0 111.437 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -65.24 166.1 10.4 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.888 0.475 . . . . 0.0 110.946 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -48.44 -46.47 37.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.054 0.942 . . . . 0.0 112.575 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.53 -52.57 49.37 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.038 0.827 . . . . 0.0 113.624 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -68.0 -41.12 82.76 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.952 1.376 . . . . 0.0 112.056 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -56.82 -33.91 67.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.44 1.496 . . . . 0.0 113.101 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -50.71 -59.54 3.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.024 1.33 . . . . 0.0 112.78 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttm -76.42 -38.54 55.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.101 0.56 . . . . 0.0 112.084 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 72' ' ' LEU . 4.0 tp -54.46 -46.77 73.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.641 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -50.75 -39.8 53.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.046 1.338 . . . . 0.0 112.679 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -50.57 26.78 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.522 1.129 . . . . 0.0 111.256 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.04 69.77 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.415 HH11 HD21 ' A' ' 80' ' ' LEU . 13.5 mmm-85 -65.02 -54.8 24.67 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.347 2.259 . . . . 0.0 110.898 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t -58.25 -21.81 49.91 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.649 1.18 . . . . 0.0 112.603 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -92.27 -42.12 10.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.547 1.539 . . . . 0.0 112.967 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 106' ' ' LEU . 14.8 tp -46.74 -58.96 3.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.477 1.511 . . . . 0.0 110.23 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -19.51 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -61.57 -46.04 91.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.927 1.691 . . . . 0.0 112.044 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.7 -48.97 11.8 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.948 0.88 . . . . 0.0 109.597 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 21' ' ' VAL . 86.5 mt -62.39 -18.52 61.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.08 1.752 . . . . 0.0 113.11 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -43.36 -37.96 2.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.243 2.617 . . . . 0.0 113.398 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -61.41 2.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.11 1.364 . . . . 0.0 111.803 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.62 -24.63 58.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -43.98 50.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.58 1.152 . . . . 0.0 111.42 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.29 33.29 0.82 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.23 2.212 . . . . 0.0 113.78 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.47 -166.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.556 2.342 . . . . 0.0 111.381 -168.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.2 m -67.29 159.8 28.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.442 1.097 . . . . 0.0 111.723 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.11 -27.89 48.53 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.305 -0.872 . . . . 0.0 113.032 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 -27.9 13.07 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.465 175.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.75 -57.14 11.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 120.462 1.483 . . . . 0.0 109.924 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mt -81.25 -42.0 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.734 0.814 . . . . 0.0 111.687 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -57.03 -46.49 82.34 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.459 0.704 . . . . 0.0 111.682 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -32.82 62.32 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.95 -19.0 15.61 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.18 1.355 . . . . 0.0 113.032 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.613 HD22 ' CE2' ' A' ' 110' ' ' PHE . 83.7 mt -55.34 -36.69 66.56 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.383 0.992 . . . . 0.0 111.301 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -64.19 -25.42 68.07 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 0.0 112.731 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -91.22 -16.02 28.33 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.779 2.031 . . . . 0.0 113.191 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 25' ' ' LEU . 13.6 mt -95.59 -67.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.636 1.174 . . . . 0.0 110.831 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -77.58 -14.21 59.71 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.485 1.114 . . . . 0.0 112.727 -176.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 128.357 2.663 . . . . 0.0 114.257 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 111.301 0.111 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -159.68 -37.12 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.217 1.407 . . . . 0.0 112.058 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.43 116.38 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.729 1.212 . . . . 0.0 112.219 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.93 177.28 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 126.056 1.743 . . . . 0.0 112.095 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -114.95 177.27 4.71 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.687 1.995 . . . . 0.0 111.128 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.43 -29.74 6.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.294 1.038 . . . . 0.0 113.708 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.15 -56.3 21.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.981 1.313 . . . . 0.0 113.108 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -57.54 -42.89 83.82 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.879 174.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.775 HG13 HD22 ' A' ' 91' ' ' LEU . 47.2 t -55.36 -28.63 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.814 0.696 . . . . 0.0 110.936 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -48.66 16.66 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.274 -1.516 . . . . 0.0 111.665 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.53 -52.66 62.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.142 0.977 . . . . 0.0 112.594 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.791 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 p -52.98 -40.61 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.099 0.96 . . . . 0.0 111.761 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.9 m-85 -60.96 -33.2 72.83 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.375 0.67 . . . . 0.0 112.254 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 t -74.35 -29.62 61.65 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.414 1.085 . . . . 0.0 112.583 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.63 -53.01 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.962 -1.086 . . . . 0.0 111.455 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -81.36 -9.21 59.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.251 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -26.25 50.9 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.0 147.72 49.76 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.984 0.914 . . . . 0.0 112.62 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 65' ' ' LEU . 10.9 mmmm -112.45 -5.9 14.04 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.037 1.335 . . . . 0.0 114.353 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -92.73 10.82 29.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.265 1.426 . . . . 0.0 112.97 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.722 HG13 HD22 ' A' ' 65' ' ' LEU . 2.3 pp -75.12 -10.05 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.742 1.617 . . . . 0.0 112.943 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -42.45 104.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.841 2.456 . . . . 0.0 112.679 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG21 ' HG3' ' A' ' 40' ' ' ARG . 13.7 p -71.29 151.3 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.517 0.727 . . . . 0.0 111.569 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.42 145.16 56.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.046 0.938 . . . . 0.0 111.754 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 p -66.32 -41.74 89.23 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.956 1.302 . . . . 0.0 113.872 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.9 m -65.57 -42.83 91.33 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.279 -0.888 . . . . 0.0 111.268 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -75.49 -25.0 56.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.833 0.853 . . . . 0.0 112.449 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CE3' HD11 ' A' ' 66' ' ' LEU . 6.8 t-105 -51.46 -50.89 58.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.884 1.22 . . . . 0.0 112.264 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.12 -31.27 51.77 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -78.69 -46.02 20.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.158 1.383 . . . . 0.0 111.23 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 32' ' ' VAL . 1.2 mmp_? -58.34 -29.03 65.63 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.553 1.141 . . . . 0.0 112.366 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.68 -38.82 56.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.86 0.864 . . . . 0.0 110.463 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -65.34 -62.02 1.78 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.052 1.741 . . . . 0.0 112.469 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.5 -52.05 41.81 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.451 0.7 . . . . 0.0 111.204 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.668 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.8 m-30 -60.72 -38.42 85.03 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.092 -0.956 . . . . 0.0 113.089 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mtt -58.14 -29.46 65.57 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.048 1.294 . . . . 0.0 112.478 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.98 -42.24 33.45 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.189 0.995 . . . . 0.0 110.616 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -15.99 4.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 HG11 ' A' ' 59' ' ' VAL . 6.7 mm -72.08 -26.47 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.721 1.208 . . . . 0.0 112.628 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 -27.77 5.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.172 1.389 . . . . 0.0 113.358 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 p -106.78 -28.81 9.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.827 1.251 . . . . 0.0 111.854 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.2 154.41 51.83 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-O 122.377 0.987 . . . . 0.0 111.632 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 178.96 5.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.906 -1.147 . . . . 0.0 112.55 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.7 p -48.64 -48.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.856 1.262 . . . . 0.0 113.278 175.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -63.62 -28.96 70.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.032 1.333 . . . . 0.0 112.291 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.5 mt-10 -82.97 -49.08 9.97 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.61 1.164 . . . . 0.0 112.126 178.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.8 mm -49.59 -52.68 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.744 1.618 . . . . 0.0 112.211 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.68 77.57 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.76 -31.07 70.71 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.556 -1.34 . . . . 0.0 113.28 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.676 HG11 HD11 ' A' ' 48' ' ' ILE . 93.6 t -66.34 -65.3 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 123.961 0.904 . . . . 0.0 109.613 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.27 -30.58 62.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.47 -57.21 13.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 126.121 1.768 . . . . 0.0 110.421 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -49.04 68.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.275 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.19 -38.41 70.92 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.4 m-85 -70.24 -50.53 38.84 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.722 HD22 HG13 ' A' ' 30' ' ' ILE . 4.8 mp -69.02 -22.78 64.04 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.545 -0.722 . . . . 0.0 112.846 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.428 HD11 ' CE3' ' A' ' 37' ' ' TRP . 1.7 mt -55.81 -29.99 60.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.459 1.504 . . . . 0.0 113.053 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -25.83 13.64 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.055 1.342 . . . . 0.0 113.362 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.64 14.31 82.18 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.747 1.165 . . . . 0.0 114.47 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.71 166.63 30.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.196 1.798 . . . . 0.0 111.235 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -28.29 69.66 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.73 71.3 4.21 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.642 1.977 . . . . 0.0 111.405 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.891 HD12 HD22 ' A' ' 80' ' ' LEU . 31.0 mt -71.55 150.51 44.69 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.226 -0.922 . . . . 0.0 112.164 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.7 m -64.15 153.7 36.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.049 0.54 . . . . 0.0 110.002 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.22 -41.76 60.51 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.27 0.628 . . . . 0.0 112.294 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.14 52.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.171 0.891 . . . . 0.0 113.465 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.77 -44.79 76.62 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.029 1.415 . . . . 0.0 111.328 175.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.57 -34.91 27.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.726 1.21 . . . . 0.0 112.995 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -59.54 4.28 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.675 1.59 . . . . 0.0 112.844 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.0 ttm -76.36 -36.8 57.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.236 0.471 . . . . 0.0 112.092 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.891 HD22 HD12 ' A' ' 72' ' ' LEU . 5.3 tp -52.19 -48.48 64.99 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.936 0.894 . . . . 0.0 111.025 175.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.23 -33.73 54.11 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.498 1.045 . . . . 0.0 112.821 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -52.54 10.25 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.377 1.071 . . . . 0.0 110.927 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.07 71.3 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.41 -55.85 23.82 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.444 2.298 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -19.44 57.65 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.638 0.775 . . . . 0.0 112.775 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.1 mt -92.23 -38.96 11.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.377 1.471 . . . . 0.0 112.683 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 106' ' ' LEU . 14.9 tp -50.23 -57.43 7.82 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.839 1.256 . . . . 0.0 110.715 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -14.22 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -44.56 79.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.305 1.842 . . . . 0.0 112.225 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.3 -48.83 10.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.869 0.843 . . . . 0.0 110.051 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 21' ' ' VAL . 89.6 mt -62.19 -19.7 63.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 113.097 177.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.85 1.84 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.82 2.448 . . . . 0.0 113.672 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -67.29 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.235 1.414 . . . . 0.0 111.806 176.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.662 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -69.25 -22.36 63.84 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -46.45 60.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.474 1.109 . . . . 0.0 111.116 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 46.46 30.59 1.11 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.857 1.663 . . . . 0.0 114.146 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -167.07 1.43 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.077 2.151 . . . . 0.0 111.955 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.3 m -63.04 156.2 25.47 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.365 1.066 . . . . 0.0 111.379 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -55.53 -27.37 48.46 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.321 -0.862 . . . . 0.0 112.907 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -53.47 -23.5 10.36 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.409 1.484 . . . . 0.0 112.774 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.55 -59.89 4.5 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.106 1.321 . . . . 0.0 109.709 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -77.83 -40.5 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.82 0.848 . . . . 0.0 111.775 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.51 -46.84 80.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.685 0.794 . . . . 0.0 111.429 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.1 m -74.56 -33.09 62.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.946 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -25.24 18.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.863 1.665 . . . . 0.0 112.786 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 87' ' ' LEU . 85.3 mt -55.77 -32.25 63.3 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.494 -0.754 . . . . 0.0 111.622 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -29.83 70.48 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.136 0.974 . . . . 0.0 113.605 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.66 -29.19 18.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.762 2.025 . . . . 0.0 112.103 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 25' ' ' LEU . 64.9 mt -75.75 -63.87 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.318 1.447 . . . . 0.0 110.496 177.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.703 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.21 5.13 35.63 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.343 1.857 . . . . 0.0 112.884 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.5 t30 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 127.313 2.245 . . . . 0.0 113.691 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -137.73 -31.52 0.78 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.347 1.459 . . . . 0.0 113.168 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -61.28 107.81 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.561 1.545 . . . . 0.0 112.381 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.01 175.44 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.306 1.842 . . . . 0.0 112.4 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.6 p -115.81 179.29 4.02 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.54 2.336 . . . . 0.0 111.009 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.49 -25.83 7.25 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -56.86 -56.23 24.32 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.74 1.155 . . . . 0.0 112.999 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.36 89.42 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.224 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.777 HG11 ' HB3' ' A' ' 94' ' ' ALA . 57.1 t -55.92 -31.64 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 119.179 0.9 . . . . 0.0 111.768 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -42.94 37.03 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.328 -1.483 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.45 -52.51 52.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.092 0.957 . . . . 0.0 112.782 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.66 HG11 HD21 ' A' ' 91' ' ' LEU . 9.7 p -52.81 -42.94 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.495 1.518 . . . . 0.0 111.889 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -57.23 -44.06 83.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.902 0.774 . . . . 0.0 111.628 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -60.3 -23.7 64.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.306 1.442 . . . . 0.0 113.89 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.22 -47.23 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.575 1.15 . . . . 0.0 110.455 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.51 -15.9 41.29 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 178.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -56.11 -24.94 43.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 114.144 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.56 121.74 28.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.041 1.336 . . . . 0.0 112.344 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -81.83 -0.68 44.54 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 0.0 114.18 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -87.75 17.89 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.656 1.983 . . . . 0.0 113.422 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 65' ' ' LEU . 2.6 pp -101.04 -4.43 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.807 2.043 . . . . 0.0 112.822 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -46.6 104.16 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.218 2.207 . . . . 0.0 112.825 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.46 129.86 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.581 1.152 . . . . 0.0 109.868 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.06 140.95 58.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.758 0.823 . . . . 0.0 111.97 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -59.89 -34.98 73.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.216 1.407 . . . . 0.0 114.627 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -61.74 -43.94 97.87 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.523 -0.736 . . . . 0.0 111.06 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.3 m -81.66 -23.72 36.74 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.458 1.103 . . . . 0.0 112.56 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -51.43 -45.04 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.751 1.22 . . . . 0.0 112.826 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -51.85 -33.88 38.23 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.149 0.98 . . . . 0.0 112.873 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -86.87 -40.28 15.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.269 1.828 . . . . 0.0 112.512 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -35.9 60.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.29 1.036 . . . . 0.0 112.117 175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.41 -42.32 63.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.046 0.939 . . . . 0.0 110.958 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -63.98 -58.84 5.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.603 1.561 . . . . 0.0 112.683 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.06 -50.49 66.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.365 0.53 . . . . 0.0 110.764 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.658 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.7 m-30 -59.81 -37.48 79.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.997 0.919 . . . . 0.0 113.157 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mtt -57.91 -31.69 67.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.737 1.153 . . . . 0.0 112.359 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -80.92 -34.98 32.98 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.274 -0.892 . . . . 0.0 111.512 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -15.65 29.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.284 -0.885 . . . . 0.0 113.064 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -72.31 -25.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.627 1.103 . . . . 0.0 112.619 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.01 -26.42 5.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.502 1.521 . . . . 0.0 114.024 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -28.79 8.66 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.034 1.333 . . . . 0.0 112.112 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 141.39 31.02 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 124.812 1.196 . . . . 0.0 110.815 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.46 176.43 8.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.16 -1.02 . . . . 0.0 112.105 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.36 -49.9 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.707 1.603 . . . . 0.0 112.225 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -58.59 -26.77 63.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.761 1.224 . . . . 0.0 112.842 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -86.74 -46.02 10.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.922 1.289 . . . . 0.0 113.3 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -50.75 -48.89 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 121.071 1.759 . . . . 0.0 111.367 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.544 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.6 -38.5 84.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 176.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.31 -45.88 86.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.756 0.707 . . . . 0.0 110.624 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 48' ' ' ILE . 76.9 t -52.52 -64.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.685 1.194 . . . . 0.0 111.36 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.86 -35.21 68.62 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -60.48 -54.34 46.71 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.391 1.477 . . . . 0.0 109.803 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.49 -52.65 36.33 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.154 0.581 . . . . 0.0 110.159 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.68 -39.62 71.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 175.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.25 -50.59 63.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.926 -1.109 . . . . 0.0 113.517 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 30' ' ' ILE . 6.7 mp -68.62 -27.06 65.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.093 0.86 . . . . 0.0 112.689 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.58 -31.48 68.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.183 1.393 . . . . 0.0 113.116 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -30.4 10.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.577 1.551 . . . . 0.0 112.429 177.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.73 21.57 69.3 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.527 1.06 . . . . 0.0 114.27 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.93 163.95 31.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.749 1.62 . . . . 0.0 110.983 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.19 -37.17 72.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.188 0.995 . . . . 0.0 112.854 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.46 81.0 5.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.205 1.402 . . . . 0.0 109.989 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 80' ' ' LEU . 33.4 mt -62.96 162.27 11.59 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.115 0.566 . . . . 0.0 111.61 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 m -59.91 147.26 39.26 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.666 -0.646 . . . . 0.0 110.494 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -49.59 -43.55 46.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.991 0.917 . . . . 0.0 112.037 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.11 99.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.404 1.002 . . . . 0.0 114.515 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.69 -44.92 65.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.545 1.173 . . . . 0.0 111.035 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -51.76 -31.19 25.72 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.241 1.417 . . . . 0.0 112.825 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -53.72 -59.52 4.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.782 1.633 . . . . 0.0 112.521 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttm -76.15 -35.32 59.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.897 0.879 . . . . 0.0 111.895 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.73 HD22 HD12 ' A' ' 72' ' ' LEU . 4.1 tp -55.32 -47.62 75.38 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.959 -0.543 . . . . 0.0 111.446 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -53.49 -34.19 57.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.209 0.913 . . . . 0.0 112.359 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -72.73 -54.42 9.0 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.925 1.29 . . . . 0.0 110.54 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.2 69.46 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 80' ' ' LEU . 14.8 mmm-85 -61.5 -49.44 76.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.556 1.942 . . . . 0.0 111.371 174.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -63.02 -22.74 67.06 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.25 -35.94 13.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.034 2.134 . . . . 0.0 113.546 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD21 HD21 ' A' ' 106' ' ' LEU . 21.4 tp -50.44 -58.1 6.51 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.78 1.632 . . . . 0.0 109.778 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -20.17 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.831 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -55.93 26.13 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -177.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.06 -46.52 77.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.886 1.274 . . . . 0.0 111.27 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.66 HD21 HG11 ' A' ' 21' ' ' VAL . 88.9 mt -69.0 -18.08 64.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.5 t -47.11 -31.76 3.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.724 2.409 . . . . 0.0 113.192 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -70.19 0.12 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.199 1.4 . . . . 0.0 112.578 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.777 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.69 -17.58 60.65 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.79 -46.83 42.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.166 1.386 . . . . 0.0 111.529 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 t70 48.55 28.13 1.66 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 126.572 1.949 . . . . 0.0 114.194 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.48 -166.97 1.91 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 111.902 -169.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -69.04 159.97 31.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.722 1.209 . . . . 0.0 112.051 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.46 -27.59 57.31 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.034 -1.041 . . . . 0.0 112.976 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -23.99 16.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.975 1.31 . . . . 0.0 112.302 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -59.81 4.46 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.414 1.461 . . . . 0.0 109.039 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 mt -77.9 -41.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.399 1.08 . . . . 0.0 111.934 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.8 -46.35 87.78 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.818 0.847 . . . . 0.0 111.779 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -74.8 -32.18 61.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.693 0.797 . . . . 0.0 112.56 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -25.83 12.14 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.107 1.322 . . . . 0.0 113.033 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 62.2 mt -52.75 -41.31 63.9 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.984 -1.073 . . . . 0.0 113.332 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.73 -22.55 66.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -29.6 17.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.887 2.475 . . . . 0.0 112.187 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.746 HG21 HD12 ' A' ' 25' ' ' LEU . 16.4 mt -83.78 -66.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.69 1.196 . . . . 0.0 111.038 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.1 m-85 -76.81 -14.27 59.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.757 2.423 . . . . 0.0 113.349 -179.816 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.22 -29.78 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.42 1.088 . . . . 0.0 112.639 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 tp -57.2 106.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.748 1.619 . . . . 0.0 112.76 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -142.81 177.75 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 112.618 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -118.83 178.23 4.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.535 1.934 . . . . 0.0 110.413 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 1.6 tm-20 -50.96 -29.38 12.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.154 0.982 . . . . 0.0 113.534 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.33 -54.5 46.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.37 1.068 . . . . 0.0 112.721 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.81 -33.49 76.11 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.674 1.19 . . . . 0.0 111.594 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 94' ' ' ALA . 85.8 t -60.39 -34.49 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.77 0.714 . . . . 0.0 111.262 174.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.99 -31.33 64.44 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.249 -1.532 . . . . 0.0 112.736 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -75.44 -52.42 10.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.106 0.962 . . . . 0.0 112.528 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 91' ' ' LEU . 14.9 p -52.79 -39.77 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.43 1.092 . . . . 0.0 112.289 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.6 m-85 -60.47 -27.51 67.61 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 -24.08 39.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.324 1.45 . . . . 0.0 113.452 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.61 -53.11 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.64 1.176 . . . . 0.0 110.594 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.19 -10.18 59.75 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.682 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -26.15 59.79 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.84 146.83 45.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.268 1.027 . . . . 0.0 112.725 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HA ' HD21 ' A' ' 65' ' ' LEU . 5.5 mmmt -109.8 -5.72 15.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.012 1.325 . . . . 0.0 114.137 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -93.05 6.24 48.63 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.479 1.912 . . . . 0.0 113.024 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.71 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -73.74 -9.43 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.783 2.033 . . . . 0.0 113.597 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -48.49 106.83 0.11 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.72 2.008 . . . . 0.0 113.072 -172.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.09 135.09 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.766 0.827 . . . . 0.0 110.6 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 143.62 52.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.043 1.337 . . . . 0.0 112.22 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 m -60.11 -42.5 94.84 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.5 m -59.79 -40.17 87.39 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.379 -0.826 . . . . 0.0 111.501 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -81.6 -26.14 35.15 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.576 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -56.11 -48.03 76.95 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.373 1.469 . . . . 0.0 112.276 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -52.33 -34.46 47.27 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.651 0.781 . . . . 0.0 112.166 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -82.09 -41.7 20.19 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.37 1.868 . . . . 0.0 111.573 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.08 64.6 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.512 1.525 . . . . 0.0 113.026 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.6 -42.09 67.3 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.602 0.761 . . . . 0.0 111.079 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -65.49 -58.03 6.82 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.458 1.503 . . . . 0.0 112.442 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -52.62 -52.04 57.29 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.577 0.626 . . . . 0.0 111.133 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.647 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.1 m-30 -59.46 -37.42 78.11 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.382 -0.818 . . . . 0.0 113.192 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -30.89 67.27 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.479 1.036 . . . . 0.0 112.849 174.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.35 -41.22 28.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 111.032 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -54.24 -18.46 3.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.655 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.1 -26.88 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.845 1.258 . . . . 0.0 112.574 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -28.5 4.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.327 1.451 . . . . 0.0 113.362 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -107.05 -24.57 11.93 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.448 1.099 . . . . 0.0 112.366 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.72 157.51 50.59 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 124.197 0.903 . . . . 0.0 111.867 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.32 177.68 6.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.139 -1.03 . . . . 0.0 112.484 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -53.16 -46.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.302 1.041 . . . . 0.0 111.626 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.53 -38.31 89.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.982 0.913 . . . . 0.0 110.58 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.7 mt-10 -72.92 -49.32 30.29 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.2 mm -48.2 -50.35 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.928 1.694 . . . . 0.0 111.685 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.45 96.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -63.46 -40.87 98.27 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.092 -1.005 . . . . 0.0 111.996 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 48' ' ' ILE . 86.0 t -56.3 -63.38 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.526 1.13 . . . . 0.0 110.454 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 179.261 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -61.07 -54.46 44.42 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.834 1.654 . . . . 0.0 110.339 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -49.75 -53.41 25.13 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.94 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.21 -41.01 83.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -50.6 68.23 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.189 -0.945 . . . . 0.0 113.024 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD22 HG13 ' A' ' 30' ' ' ILE . 5.7 mp -70.67 -27.14 63.8 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 -36.28 71.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.461 1.104 . . . . 0.0 111.797 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.3 24.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.8 0.84 . . . . 0.0 111.942 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.65 19.63 79.25 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.771 1.176 . . . . 0.0 114.366 -175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.58 169.5 23.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.088 1.355 . . . . 0.0 111.864 -178.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -69.29 -40.27 77.82 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.661 1.184 . . . . 0.0 113.349 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.54 87.66 6.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.551 1.541 . . . . 0.0 110.894 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.805 HD12 HD22 ' A' ' 80' ' ' LEU . 14.9 mt -70.94 161.8 30.44 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.243 0.544 . . . . 0.0 112.069 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.8 m -64.64 151.44 44.82 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.773 0.429 . . . . 0.0 110.218 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -51.77 -39.79 59.21 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.562 0.745 . . . . 0.0 111.998 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.11 -52.78 50.73 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 123.941 0.782 . . . . 0.0 112.999 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.97 -40.12 90.98 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.659 1.23 . . . . 0.0 112.006 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -51.2 -31.56 20.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.775 1.23 . . . . 0.0 112.613 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -55.69 -58.95 5.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.672 1.589 . . . . 0.0 112.77 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -76.35 -38.71 55.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.628 0.771 . . . . 0.0 112.594 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.805 HD22 HD12 ' A' ' 72' ' ' LEU . 3.8 tp -54.69 -47.54 73.54 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.557 0.743 . . . . 0.0 111.595 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.52 -38.78 21.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.13 1.372 . . . . 0.0 112.766 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -54.38 9.14 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.455 1.102 . . . . 0.0 110.921 175.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.24 64.63 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.428 HH11 HD21 ' A' ' 80' ' ' LEU . 16.9 mmm-85 -64.04 -54.52 32.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.126 2.17 . . . . 0.0 111.084 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -60.82 -22.56 64.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.314 1.046 . . . . 0.0 112.676 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -92.41 -35.1 13.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.228 1.411 . . . . 0.0 113.291 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.647 HD21 HD21 ' A' ' 106' ' ' LEU . 12.6 tp -52.4 -58.04 7.96 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.826 1.651 . . . . 0.0 110.067 176.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -21.99 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.586 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -63.53 -53.57 49.83 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.154 1.382 . . . . 0.0 112.362 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 53' ' ' VAL . 3.5 pt-20 -66.4 -46.14 77.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.915 0.886 . . . . 0.0 111.569 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 21' ' ' VAL . 88.0 mt -69.09 -18.05 63.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 113.658 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 t -46.33 -33.86 4.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.959 2.504 . . . . 0.0 113.283 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -70.45 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.607 1.563 . . . . 0.0 112.58 175.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.42 -18.71 61.11 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.09 -46.63 44.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 111.293 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.9 t0 46.06 33.27 1.64 Allowed 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.012 1.725 . . . . 0.0 113.802 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.23 -167.49 1.48 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.406 2.283 . . . . 0.0 111.811 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.5 m -67.39 158.22 32.21 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.79 1.236 . . . . 0.0 111.648 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -54.28 -29.45 47.31 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.212 -0.93 . . . . 0.0 112.751 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -27.67 8.56 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.399 1.48 . . . . 0.0 112.344 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.1 -59.14 5.05 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.535 1.516 . . . . 0.0 110.252 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.13 -42.28 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.72 0.808 . . . . 0.0 111.788 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.95 -46.89 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.483 0.713 . . . . 0.0 111.44 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -74.74 -32.56 62.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.883 -1.056 . . . . 0.0 112.78 175.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.49 -25.74 17.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.3 1.409 . . . . 0.0 112.774 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 86.7 mt -53.24 -36.91 61.6 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.279 0.945 . . . . 0.0 111.993 174.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -63.49 -34.41 77.71 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -81.55 -29.17 33.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.333 1.853 . . . . 0.0 112.525 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 25' ' ' LEU . 61.7 mt -77.61 -62.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.021 1.328 . . . . 0.0 109.961 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.28 8.41 21.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.046 1.738 . . . . 0.0 113.3 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 127.504 2.322 . . . . 0.0 113.374 -179.593 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -96.74 142.88 28.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.25 1.42 . . . . 0.0 111.175 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.79 135.22 6.37 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.143 1.377 . . . . 0.0 110.803 175.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 ttt -118.85 47.58 1.63 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.103 1.361 . . . . 0.0 111.347 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.07 -144.93 16.1 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.22 1.867 . . . . 0.0 112.258 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -67.33 170.76 6.76 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.511 1.524 . . . . 0.0 111.907 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.1 -29.39 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.343 1.057 . . . . 0.0 113.335 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.33 -61.61 0.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 125.857 1.694 . . . . 0.0 112.439 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.68 178.82 0.94 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.807 1.243 . . . . 0.0 112.581 175.006 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 -82.29 0.63 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.019 1.328 . . . . 0.0 109.82 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -142.1 -34.5 0.46 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.267 1.427 . . . . 0.0 112.856 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 tp -59.82 105.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.112 1.365 . . . . 0.0 112.179 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.1 176.58 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.949 1.7 . . . . 0.0 112.102 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -119.67 179.42 4.24 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.187 2.195 . . . . 0.0 110.896 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -27.35 7.33 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -53.73 -60.59 3.12 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.085 1.754 . . . . 0.0 112.373 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -40.88 89.02 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 124.22 1.008 . . . . 0.0 110.536 175.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 91' ' ' LEU . 94.0 t -54.67 -49.24 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.634 1.106 . . . . 0.0 111.082 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -55.88 -43.19 76.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.881 0.873 . . . . 0.0 111.895 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -64.37 -49.84 70.04 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.092 0.957 . . . . 0.0 111.574 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 24' ' ' ILE . 56.1 t -52.0 -52.76 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.422 1.489 . . . . 0.0 111.076 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -52.02 -42.51 63.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.624 0.37 . . . . 0.0 111.499 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 -25.01 63.27 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.974 1.31 . . . . 0.0 114.497 176.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 21' ' ' VAL . 23.6 mt -73.14 -45.29 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.716 1.606 . . . . 0.0 110.723 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -88.76 -12.7 41.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -30.17 41.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.014 1.726 . . . . 0.0 113.279 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.81 143.03 38.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.346 1.058 . . . . 0.0 112.748 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -105.84 -8.79 17.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.351 1.46 . . . . 0.0 113.923 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.3 6.78 28.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.896 1.679 . . . . 0.0 112.893 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 65' ' ' LEU . 2.3 pp -78.82 -11.18 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.319 1.848 . . . . 0.0 113.55 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -40.68 108.9 0.1 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.287 2.235 . . . . 0.0 112.117 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.3 p -72.91 151.13 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.41 0.684 . . . . 0.0 111.568 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.86 149.44 47.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.281 1.033 . . . . 0.0 112.165 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 p -66.4 -44.61 82.54 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.829 1.251 . . . . 0.0 114.057 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.7 m -59.25 -40.49 86.14 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.19 -0.944 . . . . 0.0 111.363 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.4 m -79.09 -27.18 42.93 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.701 1.2 . . . . 0.0 112.69 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -52.56 -43.93 65.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.986 1.314 . . . . 0.0 112.607 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -51.69 -44.08 62.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.196 0.999 . . . . 0.0 112.577 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -79.47 -38.7 33.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.937 1.295 . . . . 0.0 111.858 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' A' ' 32' ' ' VAL . 6.2 mmt85 -54.63 -35.7 63.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.756 1.223 . . . . 0.0 112.289 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -53.62 -43.36 68.62 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.606 0.762 . . . . 0.0 110.668 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -63.39 -59.14 5.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.534 1.534 . . . . 0.0 112.762 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.13 -52.18 59.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.397 0.544 . . . . 0.0 111.001 176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.629 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.6 m-30 -58.56 -37.87 76.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.069 0.948 . . . . 0.0 112.788 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.54 -33.22 67.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.699 1.136 . . . . 0.0 112.482 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -80.43 -37.23 32.45 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.275 -0.891 . . . . 0.0 111.191 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.94 -17.82 2.89 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.697 HD11 HG11 ' A' ' 59' ' ' VAL . 4.3 mm -74.42 -18.86 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.651 1.181 . . . . 0.0 113.049 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -121.59 -36.11 3.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.737 2.015 . . . . 0.0 112.216 -174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 t -113.64 -20.78 11.07 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.077 1.351 . . . . 0.0 112.993 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.15 143.73 32.39 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 122.441 1.023 . . . . 0.0 111.299 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.3 m -77.79 170.41 16.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.174 -1.013 . . . . 0.0 111.868 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.4 p -47.6 -49.75 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.415 1.886 . . . . 0.0 113.617 174.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -60.26 -27.74 67.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.432 1.093 . . . . 0.0 112.587 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.5 mt-10 -83.38 -47.99 10.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.282 1.433 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -48.7 -48.57 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.505 1.502 . . . . 0.0 111.782 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.86 -42.54 98.05 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.23 -38.71 90.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.599 0.76 . . . . 0.0 111.86 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.697 HG11 HD11 ' A' ' 48' ' ' ILE . 95.2 t -59.02 -67.64 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.692 1.197 . . . . 0.0 110.067 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -53.93 -35.38 61.62 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -62.45 -53.34 56.25 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.758 1.623 . . . . 0.0 111.005 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.02 -53.54 40.57 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 119.021 -0.514 . . . . 0.0 110.182 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mp -54.87 -38.78 67.96 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -50.05 68.52 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 30' ' ' ILE . 26.9 mt -71.19 -26.4 62.94 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.64 -34.69 71.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 113.005 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -87.46 -29.48 21.38 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.655 1.182 . . . . 0.0 111.99 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.68 20.47 72.13 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.31 0.957 . . . . 0.0 113.671 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.93 173.45 13.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.072 1.749 . . . . 0.0 111.329 -175.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -80.91 -60.43 2.3 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.933 1.293 . . . . 0.0 112.398 -175.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -76.88 86.95 3.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.154 0.982 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HD22 ' A' ' 80' ' ' LEU . 23.4 mt -60.1 154.99 18.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.957 0.503 . . . . 0.0 111.678 -177.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -66.23 163.11 18.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.064 -0.397 . . . . 0.0 110.641 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -52.65 -38.96 61.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.365 0.666 . . . . 0.0 111.92 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.93 -52.52 47.48 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.018 -0.879 . . . . 0.0 112.981 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -67.98 -41.43 82.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.699 1.749 . . . . 0.0 111.126 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -53.87 -33.97 57.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.563 1.145 . . . . 0.0 112.952 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -59.49 4.55 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.971 1.259 . . . . 0.0 113.096 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.9 ttm -76.38 -39.02 54.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.201 0.601 . . . . 0.0 112.181 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD22 HD12 ' A' ' 72' ' ' LEU . 2.9 tp -56.13 -44.16 78.89 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -49.32 -39.81 32.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.948 1.299 . . . . 0.0 112.567 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -73.97 -54.06 8.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.875 0.87 . . . . 0.0 111.091 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.39 -31.34 63.76 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.475 HH11 HD21 ' A' ' 80' ' ' LEU . 14.4 mmm-85 -62.31 -53.73 50.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.908 2.083 . . . . 0.0 111.434 174.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -59.97 -22.42 62.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.459 0.704 . . . . 0.0 112.778 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.48 -34.81 13.95 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.686 1.594 . . . . 0.0 113.311 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 106' ' ' LEU . 16.5 tp -53.18 -59.82 4.08 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.622 1.569 . . . . 0.0 109.645 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -19.25 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -67.29 -51.28 54.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.971 1.708 . . . . 0.0 112.423 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 53' ' ' VAL . 2.3 pt-20 -70.47 -47.31 61.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.693 0.797 . . . . 0.0 110.764 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.777 HD22 HG13 ' A' ' 18' ' ' VAL . 69.7 mt -68.06 -16.49 64.05 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.41 1.084 . . . . 0.0 113.073 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.4 t -44.62 -37.06 3.37 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.12 2.568 . . . . 0.0 113.485 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.97 15.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.527 1.131 . . . . 0.0 112.188 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.592 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -76.28 -20.18 57.59 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -45.86 77.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.322 1.049 . . . . 0.0 111.884 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.66 37.67 3.48 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 126.46 1.904 . . . . 0.0 113.291 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.78 -164.66 0.5 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.354 1.862 . . . . 0.0 112.213 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -65.39 160.75 21.24 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.101 1.361 . . . . 0.0 111.632 175.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -55.61 -28.11 53.34 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.021 -1.05 . . . . 0.0 113.082 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -27.58 13.39 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.831 1.653 . . . . 0.0 112.268 175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.93 -52.92 62.42 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.904 1.229 . . . . 0.0 111.5 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.18 -46.83 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.577 1.151 . . . . 0.0 112.293 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -56.3 -46.44 79.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.856 0.862 . . . . 0.0 111.734 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 t -73.88 -36.03 64.76 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.282 1.033 . . . . 0.0 112.121 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -56.19 -23.05 32.92 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.677 1.126 . . . . 0.0 112.758 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.78 HD21 HD21 ' A' ' 87' ' ' LEU . 96.2 mt -53.17 -37.99 62.39 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.313 0.96 . . . . 0.0 111.406 175.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 8.1 ptpt -61.73 -33.2 73.63 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.36 -25.53 39.13 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.781 2.033 . . . . 0.0 112.498 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 25' ' ' LEU . 18.9 mt -87.4 -61.15 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.762 1.225 . . . . 0.0 110.897 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.1 m-85 -80.45 2.41 25.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.56 1.544 . . . . 0.0 112.98 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 t30 53.75 53.33 11.55 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.531 2.332 . . . . 0.0 113.393 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.7 -35.91 15.51 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.979 1.712 . . . . 0.0 112.229 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.495 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . . . . . . . . 0 C--O 1.252 1.197 0 C-N-CA 127.491 2.317 . . . . 0.0 111.385 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -154.17 103.93 2.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.435 1.494 . . . . 0.0 111.779 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -104.4 79.33 1.57 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.137 1.375 . . . . 0.0 110.57 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.85 165.94 26.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.476 1.51 . . . . 0.0 111.998 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.47 -71.74 2.46 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.994 1.283 . . . . 0.0 112.346 -176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -158.05 162.78 38.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.844 1.658 . . . . 0.0 111.708 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.38 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.827 1.251 . . . . 0.0 112.849 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.4 4.72 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 126.076 1.798 . . . . 0.0 114.747 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.53 174.46 9.02 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.561 1.945 . . . . 0.0 112.019 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -88.84 -70.8 0.63 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.166 1.786 . . . . 0.0 111.516 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 -36.21 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.988 1.315 . . . . 0.0 112.793 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.42 127.86 23.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.766 0.826 . . . . 0.0 110.527 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.435 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -148.25 175.3 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 126.921 2.088 . . . . 0.0 112.192 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.9 p -109.55 176.86 4.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.655 1.982 . . . . 0.0 110.583 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -23.52 7.55 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.837 1.255 . . . . 0.0 114.168 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.0 -54.02 51.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.108 1.363 . . . . 0.0 112.288 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -42.4 94.72 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.045 174.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HD22 ' A' ' 91' ' ' LEU . 46.4 t -55.0 -28.5 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 123.646 0.591 . . . . 0.0 110.952 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.3 -48.78 13.52 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.621 -1.3 . . . . 0.0 111.475 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.12 -50.56 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.06 0.944 . . . . 0.0 112.549 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.799 HG11 HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.16 -46.96 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.86 1.264 . . . . 0.0 112.155 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -56.89 -40.26 75.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.596 0.635 . . . . 0.0 111.061 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -29.33 70.44 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.077 1.351 . . . . 0.0 113.934 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.8 mt -66.68 -56.4 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.996 0.918 . . . . 0.0 110.123 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -73.24 -15.06 61.44 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -28.42 39.69 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.858 1.263 . . . . 0.0 114.145 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -75.79 139.0 41.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.366 1.066 . . . . 0.0 112.897 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.16 -7.5 21.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 114.173 -177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -89.05 3.73 50.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.847 1.659 . . . . 0.0 113.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.63 -14.53 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.21 1.804 . . . . 0.0 113.949 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -52.39 104.19 0.08 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.145 2.178 . . . . 0.0 113.061 -171.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.644 HG11 ' HG3' ' A' ' 40' ' ' ARG . 58.3 t -70.52 143.71 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.703 0.801 . . . . 0.0 111.175 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 147.87 39.23 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.357 1.463 . . . . 0.0 113.475 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -36.16 82.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.984 1.314 . . . . 0.0 114.471 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.92 -43.36 98.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.063 0.945 . . . . 0.0 111.329 175.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -80.24 -25.23 39.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.726 1.21 . . . . 0.0 112.559 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -53.56 -43.4 68.42 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.79 1.236 . . . . 0.0 113.006 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -50.92 -42.14 59.27 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.845 0.858 . . . . 0.0 113.173 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.94 -38.92 26.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.777 1.231 . . . . 0.0 111.83 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.45 -37.24 67.47 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.016 1.326 . . . . 0.0 112.443 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.85 -42.23 62.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.666 0.786 . . . . 0.0 110.386 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.39 -56.39 11.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.778 1.231 . . . . 0.0 113.412 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.07 -49.39 73.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.027 0.83 . . . . 0.0 111.654 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.679 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.1 m-30 -60.18 -36.09 76.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.872 0.869 . . . . 0.0 112.626 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -32.73 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.61 1.095 . . . . 0.0 112.081 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.74 -36.74 36.87 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.059 -1.026 . . . . 0.0 111.452 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -54.2 -22.41 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.712 HD11 HG11 ' A' ' 59' ' ' VAL . 5.3 mm -67.27 -19.43 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.211 1.404 . . . . 0.0 112.565 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -122.63 -34.14 3.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.682 1.993 . . . . 0.0 112.464 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.35 -26.19 9.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.594 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.28 144.65 32.2 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 125.368 1.461 . . . . 0.0 111.352 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -84.4 -177.25 6.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.325 -0.938 . . . . 0.0 113.006 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.34 -52.77 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.844 1.658 . . . . 0.0 113.925 175.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -60.77 -28.05 68.44 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.813 1.245 . . . . 0.0 112.203 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -85.87 -50.7 6.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.217 1.407 . . . . 0.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.7 mm -49.0 -49.21 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.527 1.531 . . . . 0.0 111.156 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -62.96 -33.37 75.24 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.49 -33.47 64.84 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.797 -1.189 . . . . 0.0 111.855 174.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 48' ' ' ILE . 98.4 t -62.09 -62.88 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.649 1.18 . . . . 0.0 111.118 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.28 -32.75 71.49 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -177.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -59.03 -54.89 41.98 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 126.628 1.971 . . . . 0.0 110.48 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -53.05 52.45 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.487 0.492 . . . . 0.0 110.73 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.4 -47.87 66.01 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.837 1.255 . . . . 0.0 112.661 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.541 ' CE2' HD11 ' A' ' 80' ' ' LEU . 1.6 m-85 -59.86 -50.6 73.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 176.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -69.39 -29.49 67.25 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.06 -26.5 64.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.702 1.201 . . . . 0.0 112.414 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -106.17 -32.27 8.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.767 1.227 . . . . 0.0 113.288 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 23.15 76.74 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.804 1.192 . . . . 0.0 113.854 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.25 157.3 47.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.379 1.472 . . . . 0.0 112.716 -174.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -63.17 -34.93 78.7 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.62 1.968 . . . . 0.0 114.741 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.92 109.59 14.81 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.003 2.121 . . . . 0.0 109.028 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 64' ' ' TYR . 16.9 mt -72.07 172.89 9.27 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.517 0.727 . . . . 0.0 112.297 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.38 162.97 5.56 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.1 0.56 . . . . 0.0 112.042 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -50.22 -45.08 53.6 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.778 0.831 . . . . 0.0 112.449 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.0 -52.72 26.63 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.012 0.815 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.21 -37.63 83.69 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.072 -1.252 . . . . 0.0 112.432 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -30.93 64.06 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.696 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -56.31 22.13 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.796 1.18 . . . . 0.0 111.785 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.0 ttm -76.4 -37.75 56.68 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.963 0.505 . . . . 0.0 111.95 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 64' ' ' TYR . 6.7 tp -56.04 -49.09 74.71 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.383 0.673 . . . . 0.0 111.782 176.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.24 -39.74 57.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.772 1.229 . . . . 0.0 112.415 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -74.27 -49.43 23.22 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.091 0.956 . . . . 0.0 111.118 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.93 -34.27 75.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.237 1.015 . . . . 0.0 113.411 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -51.47 69.63 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.281 2.232 . . . . 0.0 110.989 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 t -61.01 -21.39 63.53 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.361 1.064 . . . . 0.0 112.749 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.4 -37.4 12.6 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 113.48 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' CD2' HD21 ' A' ' 106' ' ' LEU . 17.0 tp -48.69 -58.62 4.47 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.8 1.24 . . . . 0.0 110.924 175.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -70.2 -16.03 19.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -179.171 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -67.27 -49.45 64.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.344 1.858 . . . . 0.0 111.712 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.45 -48.37 34.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.55 0.69 . . . . 0.0 110.147 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.799 HD21 HG11 ' A' ' 21' ' ' VAL . 91.5 mt -64.71 -15.5 61.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.468 1.507 . . . . 0.0 113.502 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -23.03 6.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.659 1.984 . . . . 0.0 114.115 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -69.09 0.26 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.832 1.253 . . . . 0.0 111.868 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.633 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.58 -10.95 60.04 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -41.2 42.97 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.668 1.187 . . . . 0.0 112.393 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 42.81 32.54 0.4 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.626 2.371 . . . . 0.0 114.207 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -167.55 -165.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.657 2.383 . . . . 0.0 111.633 -167.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 m -73.04 166.29 23.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.344 1.458 . . . . 0.0 112.665 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -58.91 -28.4 66.16 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.686 -1.259 . . . . 0.0 112.923 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.12 -24.62 18.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.264 1.426 . . . . 0.0 112.575 175.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.02 -59.69 5.06 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 121.055 1.752 . . . . 0.0 110.293 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.413 ' HB ' HG22 ' A' ' 88' ' ' ILE . 5.8 mt -76.19 -39.58 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.901 -0.499 . . . . 0.0 111.421 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG3' HG21 ' A' ' 88' ' ' ILE . 32.9 mt-10 -60.69 -49.0 79.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.736 0.814 . . . . 0.0 112.364 178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -74.44 -30.5 61.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -55.95 -21.97 23.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 120.027 1.285 . . . . 0.0 112.717 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 110' ' ' PHE . 76.0 mt -54.2 -35.49 62.42 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.989 0.916 . . . . 0.0 112.892 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -27.71 27.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.607 1.563 . . . . 0.0 112.219 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 25' ' ' LEU . 9.0 mt -86.49 -67.81 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.376 1.071 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.662 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -78.16 -10.5 59.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.781 1.233 . . . . 0.0 113.415 -175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.17 69.88 0.69 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.305 2.642 . . . . 0.0 113.794 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -30.14 14.67 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.706 2.002 . . . . 0.0 113.447 178.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -145.29 89.38 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.615 1.566 . . . . 0.0 111.627 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -150.79 179.69 8.0 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.809 1.644 . . . . 0.0 112.094 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 mtm -115.52 152.54 32.8 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.34 1.856 . . . . 0.0 110.798 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.38 -87.61 0.1 Allowed Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.592 1.091 . . . . 0.0 111.664 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -124.26 170.43 10.77 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.02 2.128 . . . . 0.0 112.593 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.17 162.95 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.518 1.127 . . . . 0.0 110.37 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -18.53 62.45 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 120.892 -1.13 . . . . 0.0 115.159 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.01 -178.06 3.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.92 2.088 . . . . 0.0 111.78 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -120.46 -80.95 0.63 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.012 1.325 . . . . 0.0 111.358 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -141.65 -32.65 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.721 1.209 . . . . 0.0 112.464 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.19 107.11 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.068 1.347 . . . . 0.0 111.922 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.36 176.26 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.101 1.76 . . . . 0.0 112.229 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.47 177.67 4.66 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.756 2.023 . . . . 0.0 110.342 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.95 -30.26 5.75 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.891 1.277 . . . . 0.0 113.532 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -52.4 -57.63 9.23 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.168 1.387 . . . . 0.0 113.585 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.57 -42.59 88.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.287 174.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 HD22 ' A' ' 91' ' ' LEU . 47.8 t -54.47 -31.6 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 123.639 0.587 . . . . 0.0 110.684 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -50.16 16.95 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 120.563 -1.336 . . . . 0.0 111.779 175.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.65 -52.95 63.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.567 1.147 . . . . 0.0 112.271 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -55.91 -45.29 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.817 1.247 . . . . 0.0 111.587 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -56.86 -43.69 81.43 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.809 0.731 . . . . 0.0 110.63 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -25.47 66.52 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.17 -53.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 110.226 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.835 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -76.54 -15.5 59.85 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 179.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -28.97 38.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.304 1.442 . . . . 0.0 113.927 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.5 141.4 38.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.483 1.113 . . . . 0.0 112.81 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.93 -13.82 16.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.204 1.401 . . . . 0.0 113.548 -176.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -84.61 3.62 36.08 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.319 1.847 . . . . 0.0 113.355 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -70.93 -13.3 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 126.175 1.79 . . . . 0.0 113.975 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -44.71 106.15 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.091 2.157 . . . . 0.0 112.608 -176.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.6 p -69.32 154.8 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.648 0.779 . . . . 0.0 112.042 -176.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.23 148.61 51.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.195 0.998 . . . . 0.0 112.378 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -66.72 -38.28 86.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.1 m -65.54 -45.21 84.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.095 0.958 . . . . 0.0 110.855 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.1 m -72.56 -26.12 61.61 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.464 1.106 . . . . 0.0 112.792 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -52.91 -42.64 65.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.378 1.071 . . . . 0.0 112.571 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.88 -37.31 68.66 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.429 -0.795 . . . . 0.0 112.939 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -44.05 20.61 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.403 1.481 . . . . 0.0 111.388 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.616 ' HG3' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -50.94 -32.18 20.03 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.037 1.335 . . . . 0.0 113.178 174.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.4 -39.68 70.47 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.763 0.425 . . . . 0.0 111.075 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -65.0 -64.5 0.85 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.761 1.624 . . . . 0.0 112.455 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -54.31 -40.61 68.09 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.904 0.775 . . . . 0.0 112.218 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.61 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.9 m-30 -66.93 -39.04 87.23 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.992 174.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.5 mtt -59.66 -33.06 71.06 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.79 1.177 . . . . 0.0 112.207 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.14 -33.61 38.41 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.259 -0.9 . . . . 0.0 111.47 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -58.19 -13.66 5.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 59' ' ' VAL . 7.9 mm -72.96 -33.85 44.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.953 1.301 . . . . 0.0 112.885 177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -28.56 6.73 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.862 1.265 . . . . 0.0 113.416 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.08 -33.62 10.4 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.977 1.711 . . . . 0.0 111.165 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.79 51.8 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-O 122.71 1.172 . . . . 0.0 112.867 -173.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -88.4 176.01 7.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.624 -1.288 . . . . 0.0 111.859 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.41 -49.21 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.029 1.732 . . . . 0.0 112.748 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -59.37 -31.9 69.64 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 17.8 mt-10 -82.45 -48.29 11.25 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.618 1.167 . . . . 0.0 112.688 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 mm -48.76 -50.32 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.923 1.289 . . . . 0.0 111.308 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.74 -33.68 76.19 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.99 -34.56 71.51 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.83 -1.169 . . . . 0.0 112.106 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 48' ' ' ILE . 78.3 t -60.84 -64.11 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.06 1.344 . . . . 0.0 110.65 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.85 -33.74 70.79 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.319 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -60.56 -55.75 29.59 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 125.907 1.683 . . . . 0.0 110.565 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -51.52 64.22 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 123.497 0.498 . . . . 0.0 110.444 178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.22 -44.84 68.35 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.494 1.118 . . . . 0.0 112.73 175.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.1 m-85 -59.4 -50.62 73.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 175.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 30' ' ' ILE . 17.9 mt -72.47 -29.16 63.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.76 -36.87 75.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.545 1.538 . . . . 0.0 112.001 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -82.84 -29.09 29.7 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 175.186 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.07 16.1 72.58 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.763 1.173 . . . . 0.0 114.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -154.99 160.59 41.2 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.14 1.376 . . . . 0.0 111.821 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -63.14 -39.41 94.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.644 1.578 . . . . 0.0 114.171 174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.41 77.7 8.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -59.1 152.32 20.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.362 0.665 . . . . 0.0 112.588 -179.168 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.403 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 2.8 t -67.19 154.54 41.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 122.66 0.384 . . . . 0.0 110.404 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -51.01 -42.53 60.47 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.594 0.758 . . . . 0.0 112.357 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.7 -52.09 51.1 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.434 1.016 . . . . 0.0 113.477 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.34 -37.78 86.12 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.218 -1.166 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -57.22 -30.69 64.8 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.996 1.318 . . . . 0.0 112.615 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -57.79 -56.74 18.05 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.772 1.169 . . . . 0.0 112.086 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.35 -37.63 57.03 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.464 0.705 . . . . 0.0 112.072 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 72' ' ' LEU . 1.8 tp -57.29 -47.47 81.38 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.049 0.94 . . . . 0.0 111.679 176.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -50.38 -39.28 46.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.743 1.217 . . . . 0.0 112.753 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -53.22 13.37 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.946 0.898 . . . . 0.0 110.935 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.81 66.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.989 0.915 . . . . 0.0 113.395 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -63.98 -55.2 24.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 127.08 2.152 . . . . 0.0 110.951 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -60.73 -20.16 60.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.293 1.037 . . . . 0.0 112.695 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 mt -92.39 -40.63 10.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.362 1.465 . . . . 0.0 112.809 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.702 HD21 HD21 ' A' ' 106' ' ' LEU . 14.4 tp -47.61 -60.06 2.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.594 1.557 . . . . 0.0 110.215 176.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.421 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.3 -18.47 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.193 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -63.59 -45.11 91.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.089 1.756 . . . . 0.0 112.059 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.44 -48.92 11.27 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 122.115 0.96 . . . . 0.0 109.455 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 21' ' ' VAL . 78.7 mt -62.5 -19.14 63.28 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.426 1.891 . . . . 0.0 113.095 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -42.61 -38.28 1.96 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 128.025 2.53 . . . . 0.0 113.195 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -59.58 4.62 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.8 1.24 . . . . 0.0 112.374 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.655 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.58 -22.84 50.32 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.59 -46.1 48.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.849 1.26 . . . . 0.0 111.101 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.3 t70 47.83 29.37 1.58 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 127.101 2.16 . . . . 0.0 114.111 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -166.14 1.49 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.819 2.448 . . . . 0.0 111.155 -169.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.4 m -66.46 161.63 22.37 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.987 1.315 . . . . 0.0 112.385 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -55.52 -28.04 52.4 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.893 -1.129 . . . . 0.0 113.249 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 -29.35 12.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.978 1.711 . . . . 0.0 112.404 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.26 -53.15 59.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.81 1.186 . . . . 0.0 111.619 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.18 -46.28 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.506 1.123 . . . . 0.0 112.371 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HG3' HG21 ' A' ' 88' ' ' ILE . 14.5 mt-10 -54.31 -46.47 72.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.472 0.709 . . . . 0.0 111.23 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -74.56 -33.91 62.81 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.33 -24.27 42.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.245 1.384 . . . . 0.0 112.289 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.704 HD22 ' CE2' ' A' ' 110' ' ' PHE . 93.5 mt -55.26 -35.69 65.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.007 0.821 . . . . 0.0 111.697 175.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -61.86 -32.42 72.76 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.95 0.9 . . . . 0.0 112.785 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -80.73 -33.71 34.98 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.415 1.486 . . . . 0.0 111.716 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.835 HG21 HD12 ' A' ' 25' ' ' LEU . 14.2 mt -76.41 -63.0 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.125 0.97 . . . . 0.0 111.103 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.704 ' CE2' HD22 ' A' ' 106' ' ' LEU . 6.1 m-85 -80.27 -0.76 37.86 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.182 1.393 . . . . 0.0 113.247 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 56.91 53.78 7.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.28 2.632 . . . . 0.0 113.433 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.1 mt -89.87 -35.32 15.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.497 1.519 . . . . 0.0 112.911 -176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.267 0 C-N-CA 127.729 2.411 . . . . 0.0 113.751 -171.074 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -134.86 87.99 2.39 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.726 1.611 . . . . 0.0 111.216 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -68.51 152.3 45.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.529 0.732 . . . . 0.0 110.626 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.2 ptm -122.03 160.9 23.98 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.302 1.441 . . . . 0.0 111.815 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.99 -67.73 2.05 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.093 1.33 . . . . 0.0 112.633 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p -115.34 161.72 18.11 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.05 1.74 . . . . 0.0 112.173 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.98 -22.77 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 125.834 1.654 . . . . 0.0 114.054 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.97 -9.77 3.9 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.74 1.638 . . . . 0.0 114.604 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.51 176.08 8.03 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.316 1.847 . . . . 0.0 112.21 177.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -93.02 -66.63 0.91 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.074 1.75 . . . . 0.0 112.474 -176.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.02 -40.62 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.286 1.434 . . . . 0.0 112.163 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.09 129.66 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.211 0.604 . . . . 0.0 110.398 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.683 HG21 HG11 ' A' ' 53' ' ' VAL . 2.9 pp -145.79 176.43 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.288 1.835 . . . . 0.0 112.324 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -111.94 171.35 7.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.273 1.829 . . . . 0.0 110.572 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -51.18 -31.09 18.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.808 1.243 . . . . 0.0 113.561 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.26 -52.06 60.23 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.087 1.355 . . . . 0.0 112.689 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.62 -32.11 71.76 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.16 0.984 . . . . 0.0 110.62 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.837 HG13 HD22 ' A' ' 91' ' ' LEU . 45.2 t -60.64 -42.69 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.853 0.861 . . . . 0.0 109.872 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -66.51 -28.83 68.86 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.371 -1.456 . . . . 0.0 113.199 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -77.51 -55.71 5.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.181 0.993 . . . . 0.0 112.553 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 91' ' ' LEU . 13.1 p -53.46 -38.78 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.276 1.031 . . . . 0.0 111.818 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.473 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -60.1 -29.38 68.56 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 175.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -79.3 -28.29 42.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.751 1.221 . . . . 0.0 112.807 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.66 -53.6 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.295 1.038 . . . . 0.0 110.766 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.97 -9.29 59.67 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 178.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -56.63 -27.14 57.73 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.97 145.66 42.36 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.377 1.071 . . . . 0.0 112.791 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.8 mmmm -110.54 -2.85 16.27 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.47 4.82 52.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.622 1.169 . . . . 0.0 113.061 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.498 HG13 HD22 ' A' ' 65' ' ' LEU . 2.1 pp -74.86 -16.21 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.007 1.723 . . . . 0.0 113.846 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -47.19 116.99 1.56 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.474 1.91 . . . . 0.0 113.072 -174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.755 HG11 ' HG3' ' A' ' 40' ' ' ARG . 86.7 t -85.6 132.98 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.722 0.809 . . . . 0.0 110.667 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -55.89 147.63 18.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.398 1.479 . . . . 0.0 113.458 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -58.57 -36.32 73.76 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.244 1.418 . . . . 0.0 114.533 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.1 m -60.64 -45.21 94.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.835 1.254 . . . . 0.0 111.57 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.4 m -78.61 -28.16 45.62 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 111.774 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -56.58 -47.31 79.83 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.342 1.457 . . . . 0.0 113.316 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -32.15 43.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.627 0.771 . . . . 0.0 112.164 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -85.41 -43.37 13.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.335 1.454 . . . . 0.0 111.238 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.755 ' HG3' HG11 ' A' ' 32' ' ' VAL . 5.0 mmt180 -55.58 -33.81 64.25 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.26 1.824 . . . . 0.0 112.576 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -51.96 -40.09 60.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.652 0.781 . . . . 0.0 110.383 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.43 -55.83 10.52 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 113.627 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.0 -49.95 70.21 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.041 0.837 . . . . 0.0 111.377 175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -61.31 -34.94 76.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.863 0.865 . . . . 0.0 112.79 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.506 1.048 . . . . 0.0 111.924 175.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -79.12 -33.79 43.96 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.177 -0.952 . . . . 0.0 111.452 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -19.78 48.51 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.647 . . . . 0.0 112.532 175.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 59' ' ' VAL . 5.6 mm -70.61 -19.62 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.55 1.14 . . . . 0.0 112.349 178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -121.35 -33.34 3.68 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.304 1.842 . . . . 0.0 112.341 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.0 p -113.28 -25.27 8.93 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.432 1.493 . . . . 0.0 112.689 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.94 150.12 42.22 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 124.617 1.103 . . . . 0.0 111.32 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 -176.84 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.356 -0.922 . . . . 0.0 113.139 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 13' ' ' ILE . 2.9 p -48.2 -52.8 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.477 1.111 . . . . 0.0 113.848 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -59.37 -33.86 71.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.117 1.367 . . . . 0.0 111.918 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -79.92 -50.05 11.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.213 1.005 . . . . 0.0 112.062 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.1 mm -49.38 -50.01 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.6 1.56 . . . . 0.0 111.35 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.1 88.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.69 -32.63 74.18 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.776 -1.202 . . . . 0.0 113.665 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.626 HG13 ' HB3' ' A' ' 44' ' ' TYR . 95.0 t -63.13 -66.23 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 123.561 0.745 . . . . 0.0 110.552 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.44 -32.05 64.53 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -176.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -57.68 -56.57 20.17 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 126.084 1.754 . . . . 0.0 109.962 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -53.42 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.55 0.34 . . . . 0.0 111.541 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD11 ' SD ' ' A' ' 79' ' ' MET . 1.4 mt -51.83 -44.74 63.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.572 0.749 . . . . 0.0 112.339 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.84 -49.81 73.44 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.401 1.0 . . . . 0.0 113.562 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.3 mp -68.48 -22.38 64.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -42.42 62.99 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.176 0.991 . . . . 0.0 112.415 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -94.61 -26.43 16.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.006 0.922 . . . . 0.0 112.562 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.54 12.37 81.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.895 1.236 . . . . 0.0 114.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.05 166.01 29.09 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.382 1.873 . . . . 0.0 111.755 -176.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -63.0 -33.27 75.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.758 1.223 . . . . 0.0 113.871 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.76 91.19 5.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.073 1.349 . . . . 0.0 111.311 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.01 152.77 23.2 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.453 1.101 . . . . 0.0 112.706 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.7 m -64.53 154.81 34.93 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.257 0.623 . . . . 0.0 111.016 174.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -51.12 -45.6 61.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.149 0.98 . . . . 0.0 112.487 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.45 -52.15 54.5 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.298 0.951 . . . . 0.0 112.995 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.76 -40.32 96.9 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.982 1.391 . . . . 0.0 111.711 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -31.05 61.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.024 0.93 . . . . 0.0 112.917 177.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -56.66 19.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.306 1.042 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' HD11 ' A' ' 63' ' ' LEU . 5.5 ttm -75.92 -38.82 57.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.438 0.695 . . . . 0.0 112.024 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.62 -48.73 71.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.602 -0.713 . . . . 0.0 111.274 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.66 -40.88 41.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.808 1.243 . . . . 0.0 112.783 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -73.43 -51.47 17.13 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.673 0.789 . . . . 0.0 111.084 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.01 -31.0 68.41 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.088 0.955 . . . . 0.0 113.271 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -54.91 26.79 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.377 2.271 . . . . 0.0 110.616 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -20.08 61.24 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.211 1.004 . . . . 0.0 112.753 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.37 -39.69 11.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.572 1.549 . . . . 0.0 112.861 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 106' ' ' LEU . 13.5 tp -47.43 -57.04 5.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.335 1.454 . . . . 0.0 110.933 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.432 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -72.76 -13.99 16.73 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -69.1 -44.31 72.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.611 1.964 . . . . 0.0 112.374 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.18 -48.58 12.93 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.607 0.717 . . . . 0.0 110.252 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.837 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -64.28 -17.09 63.31 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.86 1.664 . . . . 0.0 113.257 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -47.07 -34.64 6.05 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.148 2.179 . . . . 0.0 113.508 179.082 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -62.61 1.7 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.795 1.638 . . . . 0.0 112.045 178.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.63 -25.86 65.95 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -57.31 -54.87 41.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.432 1.093 . . . . 0.0 111.145 175.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.2 t70 47.89 32.58 2.83 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 125.475 1.51 . . . . 0.0 114.494 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -169.1 2.97 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 127.167 2.187 . . . . 0.0 112.233 -171.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.8 m -62.95 147.93 49.01 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.218 1.407 . . . . 0.0 111.218 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -49.72 -29.14 7.05 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.428 1.013 . . . . 0.0 113.723 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.71 -25.26 6.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.893 1.677 . . . . 0.0 112.034 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -57.76 -59.48 5.16 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.437 1.471 . . . . 0.0 110.198 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -79.78 -38.87 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.662 0.785 . . . . 0.0 111.358 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.432 ' HG3' HG21 ' A' ' 88' ' ' ILE . 23.0 mt-10 -59.73 -49.4 77.87 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.119 0.968 . . . . 0.0 111.859 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -74.22 -27.06 60.61 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.817 -1.087 . . . . 0.0 111.977 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -27.17 52.91 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.968 1.713 . . . . 0.0 111.529 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.671 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -54.3 -33.66 59.26 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.99 0.916 . . . . 0.0 112.072 175.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.461 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -61.89 -31.03 71.29 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.005 0.922 . . . . 0.0 113.473 176.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 tmmt? -90.67 -24.82 20.35 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 127.691 2.397 . . . . 0.0 112.092 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 25' ' ' LEU . 61.4 mt -77.56 -66.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.958 1.303 . . . . 0.0 109.932 175.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.671 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.6 m-85 -85.39 6.28 27.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.142 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 53.24 49.7 19.29 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.575 2.35 . . . . 0.0 113.505 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.5 -20.88 27.41 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.898 1.679 . . . . 0.0 113.062 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.461 ' HB2' ' HG3' ' A' ' 107' ' ' LYS . . . . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.192 1.797 . . . . 0.0 113.051 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -143.13 157.96 44.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.377 1.471 . . . . 0.0 111.713 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -156.2 149.18 24.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.451 1.501 . . . . 0.0 110.822 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.8 mtt -120.29 153.43 36.4 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.146 1.378 . . . . 0.0 109.749 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.3 -152.84 10.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.361 0.981 . . . . 0.0 112.024 -175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.12 165.06 2.71 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.752 1.221 . . . . 0.0 111.338 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.22 -27.17 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.38 -46.28 1.1 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 126.348 1.928 . . . . 0.0 113.386 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.76 -168.47 1.22 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.997 1.319 . . . . 0.0 111.645 174.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -128.54 -84.8 0.57 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.826 2.05 . . . . 0.0 109.509 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 -38.33 0.51 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.363 1.065 . . . . 0.0 112.658 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -59.95 109.89 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.298 1.439 . . . . 0.0 112.305 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.97 177.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.219 1.807 . . . . 0.0 112.055 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.4 p -116.76 179.86 3.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.623 1.969 . . . . 0.0 110.749 174.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -49.41 -29.97 7.18 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.41 1.084 . . . . 0.0 113.552 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -52.7 -57.21 10.83 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.979 1.711 . . . . 0.0 112.621 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -43.42 98.91 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.217 1.007 . . . . 0.0 110.542 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 91' ' ' LEU . 94.8 t -56.89 -49.9 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -53.87 -43.1 69.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.585 1.154 . . . . 0.0 111.979 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -65.14 -53.09 50.5 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.407 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.63 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.2 t -48.15 -49.52 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.917 1.687 . . . . 0.0 111.929 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -53.91 -35.46 61.67 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -74.76 -24.28 58.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 114.148 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 21' ' ' VAL . 71.1 mt -69.41 -49.71 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.517 1.527 . . . . 0.0 110.675 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD13 HD13 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.56 -11.68 53.48 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -56.74 -25.35 54.59 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.223 1.409 . . . . 0.0 114.11 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.77 137.8 35.27 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.697 1.199 . . . . 0.0 112.524 175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' HD22 ' A' ' 65' ' ' LEU . 12.6 mmmm -102.2 7.28 40.89 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.799 1.64 . . . . 0.0 113.713 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -97.64 11.08 38.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.398 1.879 . . . . 0.0 113.286 -174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 65' ' ' LEU . 2.7 pp -92.63 -8.55 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.541 1.937 . . . . 0.0 113.173 -177.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 p -45.42 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.325 2.25 . . . . 0.0 113.12 -174.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.84 133.82 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.933 0.893 . . . . 0.0 109.9 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.09 143.95 54.45 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.679 1.191 . . . . 0.0 112.59 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -36.31 81.34 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -59.9 -43.03 95.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.329 1.052 . . . . 0.0 111.494 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.2 m -84.53 -23.0 29.95 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.477 1.111 . . . . 0.0 112.647 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.07 -45.51 64.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.702 1.201 . . . . 0.0 112.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -50.27 -35.56 27.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.312 1.045 . . . . 0.0 113.213 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -86.25 -40.4 15.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.57 1.548 . . . . 0.0 111.714 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -31.69 61.31 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 112.607 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.6 -41.7 70.25 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.02 0.928 . . . . 0.0 110.998 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -66.87 -57.24 7.37 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.606 1.562 . . . . 0.0 112.166 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.81 -51.34 61.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.378 0.671 . . . . 0.0 111.092 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.648 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.3 m-30 -60.8 -37.64 82.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.901 0.88 . . . . 0.0 113.17 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -33.69 66.48 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.587 1.085 . . . . 0.0 112.541 174.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.81 -39.42 43.86 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.466 -0.772 . . . . 0.0 111.049 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -17.15 5.02 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 59' ' ' VAL . 6.5 mm -72.19 -23.92 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.643 1.177 . . . . 0.0 112.423 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 -27.83 4.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.407 1.483 . . . . 0.0 113.751 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.7 p -108.42 -27.97 9.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.944 1.297 . . . . 0.0 111.79 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.67 145.29 40.0 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 124.559 1.076 . . . . 0.0 111.12 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -83.45 175.79 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.39 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 90' ' ' GLU . 2.6 p -49.63 -46.56 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.657 1.583 . . . . 0.0 113.541 174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.55 -24.76 67.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.892 0.877 . . . . 0.0 113.243 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.7 mt-10 -87.97 -50.4 6.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.582 1.553 . . . . 0.0 112.2 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.83 -50.19 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.846 1.657 . . . . 0.0 112.586 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.39 77.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.68 -42.11 82.95 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.236 -0.915 . . . . 0.0 111.653 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 48' ' ' ILE . 98.1 t -57.02 -63.33 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.245 1.018 . . . . 0.0 110.769 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.2 -32.99 68.8 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -62.66 -54.12 44.17 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.631 1.572 . . . . 0.0 110.61 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.84 -52.46 41.22 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.037 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mp -53.99 -44.26 70.71 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.02 -50.68 72.39 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.174 -0.954 . . . . 0.0 112.937 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 30' ' ' ILE . 12.9 mt -71.73 -25.85 62.23 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.26 -25.77 64.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.587 1.555 . . . . 0.0 112.577 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -108.73 -30.19 8.3 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.582 1.553 . . . . 0.0 113.43 175.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.27 22.21 77.94 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.137 0.875 . . . . 0.0 114.235 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -148.3 179.25 7.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.777 1.631 . . . . 0.0 112.218 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -41.71 51.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.767 1.227 . . . . 0.0 113.861 175.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -95.02 73.8 3.46 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.022 1.329 . . . . 0.0 111.245 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 HD22 ' A' ' 80' ' ' LEU . 20.7 mt -56.8 166.86 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.638 -177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.421 ' H ' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -61.84 149.13 41.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 175.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.91 -38.89 62.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.546 0.738 . . . . 0.0 112.278 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.12 -44.67 97.1 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.077 0.846 . . . . 0.0 113.811 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -72.98 -45.16 59.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.374 1.087 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -49.04 -34.29 13.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.604 1.561 . . . . 0.0 112.577 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -50.03 -59.9 3.45 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.636 1.574 . . . . 0.0 113.102 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.0 ttm -76.21 -38.89 55.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.592 0.757 . . . . 0.0 112.192 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 72' ' ' LEU . 5.8 tp -54.5 -46.31 73.43 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 123.322 0.649 . . . . 0.0 110.964 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -51.84 -39.86 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.853 1.261 . . . . 0.0 112.399 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -74.17 -48.35 29.78 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.495 1.118 . . . . 0.0 111.508 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.19 83.55 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.216 1.006 . . . . 0.0 113.38 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -49.99 72.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.876 2.07 . . . . 0.0 110.25 174.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -21.2 63.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.466 HD23 ' CE ' ' A' ' 89' ' ' LYS . 21.1 mt -92.19 -35.63 13.73 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.083 1.353 . . . . 0.0 113.671 174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 60' ' ' LEU . 14.6 tp -50.74 -58.71 5.25 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.409 175.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -18.16 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.679 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' CE ' HD23 ' A' ' 86' ' ' LEU . 21.1 ttpt -72.27 -49.81 31.95 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.964 2.106 . . . . 0.0 112.766 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 53' ' ' VAL . 6.3 pt-20 -74.41 -48.48 27.49 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.553 1.141 . . . . 0.0 111.998 175.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 18' ' ' VAL . 96.7 mt -66.82 -15.07 63.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.271 1.029 . . . . 0.0 112.508 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -33.8 1.83 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.874 2.07 . . . . 0.0 114.426 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -62.35 1.82 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.571 1.548 . . . . 0.0 111.979 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -67.21 -24.91 65.89 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -59.02 -54.75 43.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.674 1.189 . . . . 0.0 110.796 175.029 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 48.94 35.78 7.28 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.961 1.305 . . . . 0.0 113.585 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -160.87 -169.76 2.5 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.417 1.887 . . . . 0.0 112.786 -172.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 m -60.19 147.66 39.05 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.066 1.347 . . . . 0.0 111.406 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -51.0 -30.23 14.55 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.228 1.011 . . . . 0.0 113.606 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -25.42 5.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.997 1.719 . . . . 0.0 112.539 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.69 -59.56 4.83 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 120.017 1.28 . . . . 0.0 110.162 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.401 HD12 ' HD3' ' A' ' 95' ' ' LYS . 18.0 mt -80.12 -36.89 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.561 0.745 . . . . 0.0 111.362 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.92 -49.77 76.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.775 0.83 . . . . 0.0 111.848 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -74.78 -23.34 58.49 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.561 -0.733 . . . . 0.0 112.349 175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' OD1' ' HE3' ' A' ' 108' ' ' LYS . 0.4 OUTLIER -57.78 -23.61 53.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.909 1.686 . . . . 0.0 112.404 175.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.695 HD22 ' CE2' ' A' ' 110' ' ' PHE . 75.9 mt -54.61 -42.49 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 120.802 -1.187 . . . . 0.0 112.794 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -20.08 65.74 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HE3' ' OD1' ' A' ' 105' ' ' ASP . 2.8 tmmt? -92.44 -16.39 25.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.97 2.108 . . . . 0.0 112.931 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 25' ' ' LEU . 25.3 mt -98.41 -68.04 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 125.235 1.414 . . . . 0.0 109.926 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.695 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -74.59 -10.4 59.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.803 1.241 . . . . 0.0 112.894 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.3 t30 54.15 60.44 3.59 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.304 1.842 . . . . 0.0 112.623 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -21.61 55.01 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.06 0.944 . . . . 0.0 113.333 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.928 1.691 . . . . 0.0 112.63 179.734 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 m -140.13 158.4 44.11 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.661 1.584 . . . . 0.0 111.689 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -132.05 106.19 7.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.043 1.737 . . . . 0.0 110.632 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.07 157.47 46.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.815 1.646 . . . . 0.0 111.244 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.03 -164.9 22.04 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 123.865 0.745 . . . . 0.0 113.49 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -67.84 162.34 24.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.653 0.781 . . . . 0.0 111.781 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.67 -29.87 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.825 1.25 . . . . 0.0 113.593 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.61 -52.73 0.82 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.016 1.769 . . . . 0.0 113.051 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -176.44 2.73 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.036 1.334 . . . . 0.0 112.411 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -124.16 -75.75 0.59 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 111.83 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -147.8 -35.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.284 1.034 . . . . 0.0 112.285 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -61.25 108.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 111.838 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.54 176.71 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.275 1.83 . . . . 0.0 112.178 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -117.5 179.48 4.04 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.261 2.224 . . . . 0.0 110.519 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -28.48 4.88 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.733 1.213 . . . . 0.0 113.764 176.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -52.29 -57.57 9.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.785 1.234 . . . . 0.0 113.026 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -42.31 98.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 117.725 -1.131 . . . . 0.0 110.012 175.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.787 HG11 ' HB3' ' A' ' 94' ' ' ALA . 48.3 t -55.35 -34.84 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.991 0.814 . . . . 0.0 111.179 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -72.72 -41.97 64.65 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.016 -1.677 . . . . 0.0 112.485 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -68.05 -52.61 33.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.77 0.828 . . . . 0.0 113.089 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 7.1 p -53.71 -39.47 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.557 1.143 . . . . 0.0 111.868 178.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -61.29 -34.92 76.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.785 0.72 . . . . 0.0 111.965 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 t -73.3 -33.29 65.1 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.707 1.203 . . . . 0.0 112.567 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.82 -51.53 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.348 1.059 . . . . 0.0 111.332 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -82.39 -11.27 58.66 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.12 -21.57 47.1 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.479 1.511 . . . . 0.0 114.375 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -86.5 121.76 29.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.723 1.209 . . . . 0.0 111.764 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -0.19 55.83 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.504 1.522 . . . . 0.0 113.518 177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.14 6.32 19.63 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.027 1.731 . . . . 0.0 113.935 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -88.93 -8.18 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 127.022 2.129 . . . . 0.0 113.342 -177.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 87.2 p -51.11 116.37 1.98 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.036 1.734 . . . . 0.0 113.257 -170.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.43 129.14 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 123.709 0.804 . . . . 0.0 109.793 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.31 135.4 53.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.224 1.01 . . . . 0.0 111.828 175.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.4 m -51.68 -25.79 7.91 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.106 1.362 . . . . 0.0 114.521 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 m -68.02 -61.61 1.78 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.148 1.379 . . . . 0.0 111.367 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -70.74 -21.59 62.51 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 0.0 112.368 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -50.95 -42.46 59.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.705 1.202 . . . . 0.0 113.512 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -53.38 -32.72 50.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.005 0.922 . . . . 0.0 112.64 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -86.65 -42.68 13.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.21 1.804 . . . . 0.0 111.67 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -34.68 59.7 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.49 1.116 . . . . 0.0 112.376 176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.83 -42.49 65.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.102 0.961 . . . . 0.0 111.194 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -65.32 -55.91 15.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.477 1.511 . . . . 0.0 112.652 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.35 -49.83 71.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.201 0.601 . . . . 0.0 110.97 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.518 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.2 m-30 -62.12 -34.15 75.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -29.36 66.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.723 1.147 . . . . 0.0 112.072 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -78.24 -39.38 40.44 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.514 1.126 . . . . 0.0 111.012 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -16.73 4.85 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.464 HD11 HG11 ' A' ' 59' ' ' VAL . 3.9 mm -77.08 -20.24 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.321 1.048 . . . . 0.0 112.7 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -116.73 -29.87 5.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.771 1.628 . . . . 0.0 114.112 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -116.27 -22.86 8.65 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.752 1.221 . . . . 0.0 113.026 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 133.59 23.01 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 124.34 0.972 . . . . 0.0 111.26 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -70.29 176.25 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.622 -0.789 . . . . 0.0 111.623 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.31 -51.93 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 127.307 2.243 . . . . 0.0 112.007 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -58.17 -30.88 66.74 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.009 0.924 . . . . 0.0 111.8 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -80.16 -48.35 13.3 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.32 1.048 . . . . 0.0 113.014 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -50.66 -50.6 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 121.356 1.889 . . . . 0.0 111.769 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.9 85.15 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.01 -38.0 78.23 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.373 -0.823 . . . . 0.0 111.584 174.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG13 ' HB3' ' A' ' 44' ' ' TYR . 78.8 t -59.14 -68.11 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.476 1.489 . . . . 0.0 110.655 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.43 -32.14 62.49 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -175.118 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.4 -51.95 66.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.847 1.659 . . . . 0.0 110.464 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.77 -53.83 53.32 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.674 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.01 -42.33 62.92 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.183 0.901 . . . . 0.0 112.559 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.532 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.5 m-85 -62.38 -48.74 78.42 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.039 -1.038 . . . . 0.0 112.669 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 30' ' ' ILE . 34.4 mt -69.78 -21.71 63.39 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.63 -47.64 79.26 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.528 1.058 . . . . 0.0 112.172 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.74 24.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.364 1.065 . . . . 0.0 112.915 175.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.62 15.16 68.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.895 1.236 . . . . 0.0 113.804 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.53 175.89 13.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.956 1.702 . . . . 0.0 111.596 -172.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.59 -26.95 61.89 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.138 1.375 . . . . 0.0 114.41 175.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 67.73 4.34 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.482 1.913 . . . . 0.0 110.963 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.59 142.7 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.736 1.215 . . . . 0.0 111.228 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -60.45 155.93 17.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.347 0.659 . . . . 0.0 111.465 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.36 -47.18 56.22 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.395 0.998 . . . . 0.0 112.423 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.03 -52.78 17.15 Favored Glycine 0 CA--C 1.527 0.843 0 CA-C-O 119.73 -0.483 . . . . 0.0 112.09 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -57.31 -36.47 71.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.464 1.132 . . . . 0.0 113.039 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -60.21 -28.26 67.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.191 1.396 . . . . 0.0 112.943 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.05 -55.27 26.95 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.192 1.397 . . . . 0.0 111.693 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -70.54 -38.13 74.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 119.278 -0.392 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 64' ' ' TYR . 3.4 tp -54.45 -54.11 45.18 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.598 0.759 . . . . 0.0 111.282 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -52.72 -36.41 57.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.93 1.292 . . . . 0.0 112.798 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -73.29 -50.59 21.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.052 0.541 . . . . 0.0 111.129 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.63 70.82 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.549 1.139 . . . . 0.0 113.527 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -51.02 71.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.934 2.093 . . . . 0.0 110.901 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -59.7 -23.31 63.03 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.533 1.133 . . . . 0.0 112.697 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.8 mt -92.35 -36.27 13.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.16 1.384 . . . . 0.0 113.009 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 106' ' ' LEU . 14.0 tp -51.39 -56.3 13.92 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.597 1.559 . . . . 0.0 110.485 175.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.401 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -71.3 -19.17 20.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.381 0 C-N-CA 120.184 -0.607 . . . . 0.0 112.578 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -61.82 -55.91 24.92 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.572 1.549 . . . . 0.0 112.283 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -66.22 -48.34 70.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.117 1.367 . . . . 0.0 111.831 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 21' ' ' VAL . 88.7 mt -68.3 -15.52 63.6 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.616 1.166 . . . . 0.0 113.932 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 32.6 t -51.39 -28.71 13.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.209 1.804 . . . . 0.0 113.199 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -69.92 0.13 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.221 1.408 . . . . 0.0 113.337 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.787 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.01 -20.18 63.28 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.1 OUTLIER -54.06 -54.75 34.99 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.405 1.482 . . . . 0.0 111.437 175.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.2 t70 50.5 30.23 4.55 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.668 1.587 . . . . 0.0 114.619 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -156.16 -168.38 2.73 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.859 2.063 . . . . 0.0 112.742 -171.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 m -65.03 148.76 51.06 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.081 1.352 . . . . 0.0 111.152 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -50.88 -27.56 7.73 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -52.98 -23.74 7.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.503 1.521 . . . . 0.0 112.651 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.3 -59.42 5.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.725 1.148 . . . . 0.0 108.955 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.22 -41.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.746 1.218 . . . . 0.0 111.759 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 88' ' ' ILE . 12.8 mt-10 -58.36 -46.25 86.64 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.665 0.786 . . . . 0.0 111.228 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 t -74.84 -29.97 61.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.189 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -24.65 11.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.664 1.575 . . . . 0.0 112.806 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.772 HD21 HD21 ' A' ' 87' ' ' LEU . 69.5 mt -55.97 -40.15 72.83 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.112 -0.992 . . . . 0.0 112.047 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -22.94 66.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -92.3 -18.15 23.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.176 2.59 . . . . 0.0 113.056 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 25' ' ' LEU . 28.3 mt -96.41 -67.67 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 125.295 1.438 . . . . 0.0 109.688 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.8 m-85 -77.2 -12.12 59.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.638 1.175 . . . . 0.0 113.423 -174.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 57.48 66.9 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.033 2.133 . . . . 0.0 112.911 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.37 -52.84 6.19 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.368 1.067 . . . . 0.0 112.225 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.304 0 C-N-CA 127.483 2.313 . . . . 0.0 114.736 -177.045 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 CA-C-O 119.364 -0.687 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -115.11 25.29 11.0 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.92 1.688 . . . . 0.0 113.826 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -120.21 -50.55 2.24 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.213 1.805 . . . . 0.0 112.54 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.47 179.24 4.13 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.356 1.462 . . . . 0.0 112.293 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.18 174.58 50.49 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.834 1.207 . . . . 0.0 112.988 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 m -82.32 172.63 12.88 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.537 HG12 HD23 ' A' ' 9' ' ' LEU . 1.5 t -65.68 142.49 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.937 0.895 . . . . 0.0 110.34 176.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.66 57.8 4.49 Favored Glycine 0 N--CA 1.476 1.352 0 C-N-CA 124.979 1.276 . . . . 0.0 114.156 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD23 HG12 ' A' ' 7' ' ' VAL . 3.9 mm? -117.42 -179.3 3.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.319 2.247 . . . . 0.0 111.217 -175.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -135.82 -85.62 0.37 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.151 1.38 . . . . 0.0 110.936 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -160.87 -48.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.922 1.689 . . . . 0.0 111.212 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -62.1 110.96 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.349 1.46 . . . . 0.0 112.736 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -146.23 175.81 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.455 1.902 . . . . 0.0 111.775 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -113.45 -179.26 3.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.344 1.858 . . . . 0.0 110.375 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.54 -29.42 6.87 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.333 1.453 . . . . 0.0 113.474 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -51.53 -61.4 2.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.806 1.642 . . . . 0.0 113.849 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.2 -41.01 83.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.417 174.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG13 HD22 ' A' ' 91' ' ' LEU . 45.6 t -54.18 -30.28 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 118.88 0.763 . . . . 0.0 111.36 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -50.4 15.28 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.123 -1.611 . . . . 0.0 111.719 174.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.85 -51.85 67.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.928 0.891 . . . . 0.0 112.29 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.757 HG11 HD21 ' A' ' 91' ' ' LEU . 8.5 p -54.06 -40.8 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 119.031 0.832 . . . . 0.0 111.641 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -62.73 -28.99 70.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.783 0.72 . . . . 0.0 112.901 174.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.4 t -78.12 -30.97 49.69 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 0.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' VAL . 91.9 mt -64.0 -54.77 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.369 1.067 . . . . 0.0 111.005 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -56.32 -27.98 57.42 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.633 1.173 . . . . 0.0 114.093 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.81 140.59 42.39 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.577 1.151 . . . . 0.0 112.582 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 5.8 21.08 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.784 1.234 . . . . 0.0 113.853 -177.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -97.18 3.84 51.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.74 2.016 . . . . 0.0 113.479 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 65' ' ' LEU . 2.4 pp -74.71 -7.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.681 1.592 . . . . 0.0 113.402 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -51.38 104.23 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.152 1.781 . . . . 0.0 112.706 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 40' ' ' ARG . 50.4 t -75.57 138.71 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 110.615 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.8 148.4 29.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.891 1.277 . . . . 0.0 113.244 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -35.88 78.92 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.819 1.648 . . . . 0.0 114.088 -176.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.7 m -61.1 -43.4 98.93 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.612 1.165 . . . . 0.0 111.432 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.0 m -83.06 -24.44 32.75 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.126 0.97 . . . . 0.0 112.33 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -52.25 -43.67 64.47 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.698 1.199 . . . . 0.0 112.95 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.55 -43.05 56.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -80.59 -38.51 29.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.618 1.167 . . . . 0.0 111.524 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.721 ' HG3' HG11 ' A' ' 32' ' ' VAL . 6.0 mmt180 -55.19 -34.92 64.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.784 1.234 . . . . 0.0 112.515 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.1 -42.62 66.13 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.601 0.76 . . . . 0.0 110.815 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -65.3 -59.67 3.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.745 1.618 . . . . 0.0 112.377 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.55 -50.74 62.31 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.137 0.426 . . . . 0.0 111.713 177.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.68 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -60.13 -37.73 80.95 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.8 0.84 . . . . 0.0 112.446 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -31.81 69.69 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.77 1.168 . . . . 0.0 112.438 175.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -78.73 -37.6 40.95 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.083 -1.011 . . . . 0.0 111.44 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -55.29 -18.09 5.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 59' ' ' VAL . 4.5 mm -73.84 -19.09 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 124.459 1.103 . . . . 0.0 112.456 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -121.67 -34.99 3.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.894 2.077 . . . . 0.0 111.858 -174.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -112.77 -28.25 7.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.266 1.426 . . . . 0.0 112.339 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.43 148.07 46.57 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 124.938 1.256 . . . . 0.0 111.721 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -84.53 175.0 9.57 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 125.149 1.38 . . . . 0.0 112.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG23 ' CG ' ' A' ' 90' ' ' GLU . 2.2 p -48.81 -51.41 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.396 1.479 . . . . 0.0 113.353 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -61.11 -25.67 67.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.883 0.873 . . . . 0.0 112.507 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 59' ' ' VAL . 6.3 mt-10 -83.6 -48.91 9.72 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.417 1.087 . . . . 0.0 112.893 174.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mm -48.18 -49.67 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.522 1.51 . . . . 0.0 111.695 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.22 90.03 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.101 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.39 -33.34 75.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.452 -1.405 . . . . 0.0 112.591 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 48' ' ' ILE . 79.1 t -61.06 -66.42 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 123.898 0.879 . . . . 0.0 109.999 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.48 -35.18 65.25 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -176.058 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -58.24 -47.86 82.22 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.689 1.996 . . . . 0.0 111.048 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -56.25 17.68 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.246 0.618 . . . . 0.0 110.272 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 76' ' ' GLU . 2.8 mp -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.532 0.733 . . . . 0.0 112.804 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.442 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -55.86 -50.54 70.33 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 175.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 30' ' ' ILE . 54.7 mt -72.6 -30.53 64.44 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.52 -33.87 71.92 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.557 1.143 . . . . 0.0 111.882 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.19 -32.01 15.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.895 1.278 . . . . 0.0 113.436 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 16.98 78.02 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.317 0.961 . . . . 0.0 114.214 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -151.15 176.03 11.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.347 1.859 . . . . 0.0 111.892 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -77.17 -39.87 47.43 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.77 1.628 . . . . 0.0 113.919 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.67 71.39 7.56 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.156 1.782 . . . . 0.0 111.269 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -54.34 154.92 4.15 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -59.44 155.67 14.5 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.111 0.965 . . . . 0.0 111.27 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.54 -42.37 64.33 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.23 -52.75 21.15 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.143 0.878 . . . . 0.0 113.437 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HB3' HD23 ' A' ' 63' ' ' LEU . 52.0 mt-10 -62.57 -40.04 95.59 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.933 -1.333 . . . . 0.0 112.063 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -54.31 -28.67 43.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.059 0.944 . . . . 0.0 113.274 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.63 -57.66 11.73 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.812 1.245 . . . . 0.0 112.126 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttm -76.29 -39.36 54.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.57 0.748 . . . . 0.0 111.888 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.793 HD22 HD22 ' A' ' 72' ' ' LEU . 5.0 tp -54.83 -45.87 74.52 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.473 175.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -52.03 -39.22 59.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.698 1.135 . . . . 0.0 112.765 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -74.53 -48.64 25.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.317 0.647 . . . . 0.0 111.21 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.34 -31.43 69.18 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.182 -0.949 . . . . 0.0 112.734 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -63.26 -53.71 48.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.902 2.081 . . . . 0.0 111.374 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.0 p -61.24 -21.97 64.38 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.8 mt -92.55 -34.46 14.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.794 2.038 . . . . 0.0 113.406 175.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -53.0 -58.65 6.25 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.176 1.39 . . . . 0.0 110.009 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -18.72 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.415 -0.803 . . . . 0.0 112.758 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -53.43 46.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.649 1.579 . . . . 0.0 112.551 -177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' CG ' HG23 ' A' ' 53' ' ' VAL . 1.8 pt-20 -70.31 -46.25 64.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.737 1.215 . . . . 0.0 111.564 175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 21' ' ' VAL . 91.9 mt -67.8 -18.42 64.85 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.429 1.091 . . . . 0.0 113.593 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.9 t -44.13 -36.04 2.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 128.103 2.561 . . . . 0.0 113.338 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -64.92 0.68 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.143 1.377 . . . . 0.0 112.029 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.719 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.83 -23.1 60.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.44 -45.08 46.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.59 1.156 . . . . 0.0 111.5 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 t70 46.23 30.95 1.09 Allowed 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.636 1.974 . . . . 0.0 113.984 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.41 -167.04 1.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.156 2.182 . . . . 0.0 111.468 -167.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -64.45 157.66 25.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.378 1.071 . . . . 0.0 111.152 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -54.67 -27.82 42.9 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 121.419 -0.801 . . . . 0.0 112.792 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -26.96 12.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.826 1.651 . . . . 0.0 111.982 175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -59.78 4.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.464 1.483 . . . . 0.0 109.434 175.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.28 -40.58 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 O-C-N 121.697 -0.627 . . . . 0.0 112.046 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.72 -47.8 81.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.547 0.739 . . . . 0.0 111.718 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -74.77 -31.67 61.83 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 117.828 -1.082 . . . . 0.0 113.113 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -54.71 -23.56 18.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.597 1.544 . . . . 0.0 112.837 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.783 HD21 HD21 ' A' ' 87' ' ' LEU . 82.2 mt -55.98 -35.68 67.02 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.854 0.862 . . . . 0.0 112.077 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -63.28 -23.86 67.61 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.863 0.865 . . . . 0.0 112.726 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -93.86 -17.41 23.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.039 2.136 . . . . 0.0 113.276 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.501 HG21 HD13 ' A' ' 25' ' ' LEU . 68.2 mt -91.91 -67.99 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.807 1.643 . . . . 0.0 109.941 177.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 106' ' ' LEU . 2.4 m-85 -81.37 -10.82 59.46 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.565 1.146 . . . . 0.0 112.521 -175.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.7 t30 59.76 70.59 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.05 2.54 . . . . 0.0 113.601 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.97 -23.92 16.06 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.306 1.042 . . . . 0.0 113.709 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.976 1.71 . . . . 0.0 112.494 175.548 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -143.09 168.67 19.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.847 1.659 . . . . 0.0 111.611 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 165.68 10.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.067 1.347 . . . . 0.0 112.167 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.5 ptp -146.34 160.94 41.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.499 1.919 . . . . 0.0 111.56 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.42 11.22 10.53 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.701 1.619 . . . . 0.0 114.547 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -137.93 170.96 15.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.897 2.479 . . . . 0.0 111.2 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.71 -28.78 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.347 1.459 . . . . 0.0 113.898 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.83 -35.26 2.42 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.25 1.881 . . . . 0.0 113.855 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -172.07 3.83 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.643 1.577 . . . . 0.0 111.528 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.45 -84.15 0.65 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.923 1.689 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -146.15 -30.6 0.38 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.816 1.246 . . . . 0.0 112.67 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.35 110.42 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.168 1.387 . . . . 0.0 112.05 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.19 174.25 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.655 1.982 . . . . 0.0 112.215 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.7 p -113.82 177.83 4.5 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.607 1.963 . . . . 0.0 110.719 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.22 -28.58 4.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.031 1.332 . . . . 0.0 113.863 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -55.49 -56.18 23.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.541 1.064 . . . . 0.0 112.895 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -58.06 -42.75 86.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.7 175.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 91' ' ' LEU . 38.4 t -55.37 -31.67 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 0.585 . . . . 0.0 110.754 -177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.01 -48.85 22.04 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.46 -1.4 . . . . 0.0 111.515 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.23 -52.85 63.52 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.433 1.093 . . . . 0.0 111.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 91' ' ' LEU . 11.4 p -54.43 -45.2 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.946 1.298 . . . . 0.0 111.222 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.02 -41.55 88.04 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.745 0.702 . . . . 0.0 109.89 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.21 -32.5 71.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.635 1.174 . . . . 0.0 113.555 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.48 -51.3 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.048 0.939 . . . . 0.0 110.773 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.742 HD12 HG21 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -78.29 -16.91 57.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 179.163 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -54.6 -27.55 40.01 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.186 1.394 . . . . 0.0 114.113 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -76.53 139.21 40.66 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.805 1.242 . . . . 0.0 112.945 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 -14.33 18.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.817 1.247 . . . . 0.0 114.324 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -79.14 -2.34 40.3 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.13 1.372 . . . . 0.0 113.734 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.75 -15.47 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.462 1.505 . . . . 0.0 114.194 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 t -39.06 105.22 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.617 2.367 . . . . 0.0 113.605 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.04 137.24 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.458 1.503 . . . . 0.0 111.522 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.0 148.27 50.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.296 1.038 . . . . 0.0 112.608 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.36 -45.79 91.56 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.333 1.053 . . . . 0.0 113.559 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.9 m -58.34 -45.56 87.91 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.209 -0.932 . . . . 0.0 111.01 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -70.66 -32.16 69.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.16 1.384 . . . . 0.0 112.585 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -54.46 -48.65 71.51 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.98 1.312 . . . . 0.0 111.982 -176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -52.96 -30.23 33.57 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.029 0.932 . . . . 0.0 113.057 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.17 -50.91 7.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.483 1.913 . . . . 0.0 111.241 176.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -30.54 54.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.432 1.493 . . . . 0.0 112.908 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -51.75 -42.88 62.68 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.241 1.416 . . . . 0.0 111.552 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -64.85 -58.0 7.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.444 1.498 . . . . 0.0 112.295 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -56.98 -47.13 81.51 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.605 0.362 . . . . 0.0 111.185 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.52 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -57.16 -45.26 83.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 117.881 -1.056 . . . . 0.0 111.987 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -30.39 66.03 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.727 1.149 . . . . 0.0 112.386 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -80.98 -37.0 30.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.363 1.465 . . . . 0.0 112.209 175.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.18 -18.32 25.02 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.686 -1.259 . . . . 0.0 112.981 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.594 HD11 HG11 ' A' ' 59' ' ' VAL . 6.8 mm -70.29 -24.54 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.56 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -120.37 -23.58 6.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.762 1.225 . . . . 0.0 113.776 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 p -113.71 -28.46 7.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.735 1.214 . . . . 0.0 113.024 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.47 145.09 30.03 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 124.842 1.21 . . . . 0.0 110.452 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -83.2 179.87 7.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.097 -1.051 . . . . 0.0 112.922 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.58 -52.08 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.321 1.848 . . . . 0.0 113.449 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -59.58 -32.31 70.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.147 1.379 . . . . 0.0 112.352 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.0 mt-10 -82.1 -49.18 10.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.518 1.527 . . . . 0.0 111.657 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -49.43 -49.94 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.667 1.587 . . . . 0.0 111.172 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -63.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.064 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.1 -35.95 69.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.913 -1.117 . . . . 0.0 111.239 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.594 HG11 HD11 ' A' ' 48' ' ' ILE . 88.7 t -61.22 -61.49 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.611 1.164 . . . . 0.0 111.073 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -60.13 -30.44 69.29 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -61.17 -56.15 24.02 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.646 1.578 . . . . 0.0 111.751 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.88 -45.8 82.3 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.11 0.413 . . . . 0.0 110.732 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.48 -45.91 76.93 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.262 1.025 . . . . 0.0 111.773 174.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.7 m-85 -62.95 -49.85 73.11 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.1 -26.18 66.57 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.821 -0.549 . . . . 0.0 112.295 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.12 -37.52 74.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.889 1.276 . . . . 0.0 110.534 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.59 -31.47 18.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.221 0.609 . . . . 0.0 112.421 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.08 17.07 69.47 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.408 1.004 . . . . 0.0 114.517 -173.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.1 164.8 36.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 112.451 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -64.4 -37.7 88.44 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.844 1.658 . . . . 0.0 114.053 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 84.19 7.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.721 1.608 . . . . 0.0 110.279 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -64.17 155.86 30.35 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 176.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.78 149.13 50.65 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.756 0.822 . . . . 0.0 110.22 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -52.41 -42.03 63.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.915 0.779 . . . . 0.0 112.875 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.72 48.82 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.058 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -64.69 -41.18 96.23 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.211 -1.17 . . . . 0.0 111.498 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -54.52 -30.99 55.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.067 1.747 . . . . 0.0 112.766 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -56.26 24.24 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.153 1.381 . . . . 0.0 112.018 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -74.74 -35.99 62.62 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.591 0.357 . . . . 0.0 111.636 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD22 HD22 ' A' ' 72' ' ' LEU . 9.1 tp -54.53 -48.64 71.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.338 0.655 . . . . 0.0 111.574 175.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -51.71 -38.03 53.41 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.42 1.088 . . . . 0.0 112.914 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -43.89 37.78 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.103 0.961 . . . . 0.0 112.184 176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.14 71.75 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.858 -1.151 . . . . 0.0 112.984 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -60.94 -51.3 69.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.267 2.227 . . . . 0.0 111.01 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.5 p -63.98 -20.25 65.75 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD23 ' HD2' ' A' ' 89' ' ' LYS . 52.0 mt -91.78 -38.06 12.6 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.159 1.384 . . . . 0.0 112.745 175.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 106' ' ' LEU . 20.1 tp -47.03 -61.05 2.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.006 1.323 . . . . 0.0 110.799 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.415 HG21 ' HG3' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -68.75 -14.63 18.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -178.394 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 86' ' ' LEU . 11.4 ttmm -70.31 -42.27 72.2 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.364 1.866 . . . . 0.0 113.001 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.55 -48.77 11.37 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.718 0.771 . . . . 0.0 109.83 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 21' ' ' VAL . 58.0 mt -62.48 -14.18 38.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.2 1.8 . . . . 0.0 112.433 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 p -50.26 -28.76 8.24 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.561 1.944 . . . . 0.0 114.135 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -62.24 1.85 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.496 1.118 . . . . 0.0 111.655 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.607 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -77.64 -9.9 59.22 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 97' ' ' CYS . 7.7 ptmt -49.29 -39.81 32.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.481 1.112 . . . . 0.0 112.539 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 t70 45.38 24.55 0.17 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 129.208 3.003 . . . . 0.0 115.187 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 95' ' ' LYS . 1.3 t -166.0 -164.96 0.75 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.661 2.384 . . . . 0.0 111.551 -165.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.55 165.99 21.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.885 1.274 . . . . 0.0 112.037 175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.3 -30.54 62.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.593 -1.317 . . . . 0.0 111.976 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -24.64 7.98 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.855 1.662 . . . . 0.0 113.05 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -59.47 5.39 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 121.245 1.839 . . . . 0.0 109.611 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 mt -76.73 -41.29 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.549 0.74 . . . . 0.0 110.519 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' HG21 ' A' ' 88' ' ' ILE . 52.4 mt-10 -58.27 -50.95 71.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.275 1.03 . . . . 0.0 111.899 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -73.56 -32.5 64.19 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.096 -1.43 . . . . 0.0 112.888 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.63 -26.3 21.56 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.196 1.817 . . . . 0.0 112.085 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.663 HD21 HD21 ' A' ' 87' ' ' LEU . 76.7 mt -52.7 -36.56 57.53 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.292 0.637 . . . . 0.0 112.316 175.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -60.11 -39.65 86.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 112.552 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -35.7 67.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 112.136 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.742 HG21 HD12 ' A' ' 25' ' ' LEU . 16.2 mt -77.11 -62.7 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.263 1.025 . . . . 0.0 111.194 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.1 m-85 -81.22 0.21 37.68 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.542 1.537 . . . . 0.0 113.459 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 56.26 55.64 6.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 128.074 2.55 . . . . 0.0 113.231 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.78 -39.37 11.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.392 1.477 . . . . 0.0 112.715 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.403 2.281 . . . . 0.0 112.379 -175.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.096 -0.401 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.91 158.96 15.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.915 1.686 . . . . 0.0 112.428 175.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.95 137.9 13.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.174 1.79 . . . . 0.0 111.311 175.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.3 mtm -88.81 90.79 8.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.234 1.414 . . . . 0.0 110.798 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.66 -90.69 0.12 Allowed Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.81 1.195 . . . . 0.0 112.183 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.4 164.97 25.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.958 1.303 . . . . 0.0 111.789 177.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG12 HD23 ' A' ' 9' ' ' LEU . 4.1 t -66.28 -24.79 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.282 -0.886 . . . . 0.0 111.824 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.65 32.78 26.49 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.7 1.143 . . . . 0.0 113.796 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.55 HD23 HG12 ' A' ' 7' ' ' VAL . 4.0 mm? -112.48 174.92 5.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.193 2.197 . . . . 0.0 111.159 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -130.99 -87.31 0.49 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.679 1.592 . . . . 0.0 110.907 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -160.45 -50.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.71 1.604 . . . . 0.0 111.72 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 tp -60.74 109.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.615 1.566 . . . . 0.0 112.617 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.94 176.54 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 126.674 1.99 . . . . 0.0 111.622 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.5 p -114.34 -177.61 3.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.279 2.232 . . . . 0.0 110.99 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.43 -27.1 5.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.303 1.041 . . . . 0.0 113.799 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -50.98 -61.3 2.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.708 1.603 . . . . 0.0 112.979 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -41.05 96.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 117.55 -1.214 . . . . 0.0 109.965 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.799 HG13 HD22 ' A' ' 91' ' ' LEU . 45.9 t -56.25 -35.62 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 119.527 1.058 . . . . 0.0 111.681 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -74.88 -35.0 62.31 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 119.894 -1.754 . . . . 0.0 113.088 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.34 -51.28 25.11 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.539 1.135 . . . . 0.0 112.712 176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 91' ' ' LEU . 11.2 p -56.48 -44.09 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.256 1.422 . . . . 0.0 112.212 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 109' ' ' ILE . 6.8 m-85 -56.45 -35.67 68.15 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.964 0.802 . . . . 0.0 111.682 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -67.14 -28.82 68.44 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.361 1.464 . . . . 0.0 113.56 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.12 -48.78 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.524 1.13 . . . . 0.0 110.747 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.76 -11.96 57.89 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.662 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -56.46 -26.75 54.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.966 1.307 . . . . 0.0 114.141 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.29 124.69 30.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 112.368 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -86.65 -8.08 57.77 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -80.56 6.94 11.11 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.119 1.368 . . . . 0.0 113.854 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.597 HD11 HD13 ' A' ' 65' ' ' LEU . 2.4 pp -83.78 -12.06 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 126.84 2.056 . . . . 0.0 113.536 -178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 p -43.34 114.28 0.61 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.7 2.4 . . . . 0.0 113.977 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -78.59 132.8 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.035 0.934 . . . . 0.0 110.534 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.84 145.97 38.97 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.394 1.477 . . . . 0.0 112.84 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -61.15 -42.41 98.5 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.18 -46.19 90.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.576 1.15 . . . . 0.0 111.504 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 40' ' ' ARG . 57.8 m -73.4 -25.09 60.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.028 1.731 . . . . 0.0 112.78 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.82 -45.12 95.19 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.532 1.533 . . . . 0.0 112.852 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -51.7 -31.03 24.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.656 0.782 . . . . 0.0 111.998 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 -44.37 11.68 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.606 1.962 . . . . 0.0 112.379 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -56.44 -32.49 64.96 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.188 0.995 . . . . 0.0 112.042 176.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.04 -41.44 62.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.274 1.03 . . . . 0.0 111.052 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -63.83 -61.3 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.42 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.34 -47.51 72.47 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.264 0.483 . . . . 0.0 111.461 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.633 ' HB3' HG13 ' A' ' 59' ' ' VAL . 16.6 m-30 -61.76 -37.75 85.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.804 0.841 . . . . 0.0 113.132 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.6 mtt -58.06 -33.87 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.795 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -74.99 -38.9 61.52 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.384 -0.822 . . . . 0.0 111.207 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -18.34 9.4 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 59' ' ' VAL . 4.8 mm -73.28 -18.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.173 0.989 . . . . 0.0 112.588 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -122.27 -34.65 3.26 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.669 1.988 . . . . 0.0 112.138 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 p -113.02 -26.21 8.59 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.166 1.386 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.34 144.43 39.12 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 124.894 1.235 . . . . 0.0 111.84 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.81 175.87 9.58 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.251 1.02 . . . . 0.0 112.922 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -51.75 -48.64 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.172 1.389 . . . . 0.0 112.095 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.64 -26.57 68.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.705 0.802 . . . . 0.0 112.05 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.3 -45.49 13.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.589 1.156 . . . . 0.0 112.678 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mm -51.98 -49.46 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 120.611 1.551 . . . . 0.0 111.127 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.18 -36.63 78.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.45 -42.09 83.65 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.422 -0.799 . . . . 0.0 111.574 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 48' ' ' ILE . 69.6 t -57.01 -65.04 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.981 0.912 . . . . 0.0 110.953 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -55.9 -34.2 65.35 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.8 -57.12 14.27 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.745 1.618 . . . . 0.0 109.614 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.45 -53.8 20.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.192 -0.433 . . . . 0.0 111.181 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.47 -44.75 62.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.102 0.961 . . . . 0.0 112.738 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 m-85 -60.81 -50.63 72.68 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.175 0.898 . . . . 0.0 113.407 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 30' ' ' ILE . 4.3 mp -69.67 -19.77 63.59 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.72 -47.55 73.62 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.283 0.947 . . . . 0.0 112.393 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -85.88 -27.08 25.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.402 1.081 . . . . 0.0 111.822 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.66 15.75 80.51 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.72 1.152 . . . . 0.0 113.895 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.67 165.32 29.94 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.921 1.688 . . . . 0.0 111.168 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -66.49 -31.21 71.8 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.155 0.982 . . . . 0.0 113.417 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -85.74 81.61 8.53 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.512 1.525 . . . . 0.0 110.92 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.59 153.08 43.98 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.93 0.892 . . . . 0.0 112.517 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.2 m -66.36 152.88 44.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.692 0.397 . . . . 0.0 110.259 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.31 -39.3 60.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.61 0.764 . . . . 0.0 112.308 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 -52.61 52.03 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.243 -0.754 . . . . 0.0 113.075 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.73 -39.24 90.95 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.549 1.674 . . . . 0.0 112.205 175.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.33 -32.89 62.88 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.525 1.13 . . . . 0.0 112.866 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -52.98 -59.8 4.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.284 1.434 . . . . 0.0 112.651 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.39 -38.27 55.94 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.108 0.563 . . . . 0.0 111.982 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 64' ' ' TYR . 2.7 tp -54.93 -50.5 68.7 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 123.555 0.742 . . . . 0.0 111.354 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -50.45 -37.56 38.94 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.614 1.166 . . . . 0.0 112.639 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -71.14 -54.36 11.31 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.28 1.032 . . . . 0.0 110.881 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.99 -34.0 71.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.405 1.082 . . . . 0.0 113.263 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -50.25 74.67 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.776 2.03 . . . . 0.0 110.958 175.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.56 -22.07 64.85 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.708 0.803 . . . . 0.0 112.943 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -92.24 -35.71 13.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.324 1.85 . . . . 0.0 112.901 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 106' ' ' LEU . 15.5 tp -52.11 -57.27 10.09 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.717 1.607 . . . . 0.0 110.813 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -19.55 22.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -66.55 -49.06 67.7 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.157 1.783 . . . . 0.0 112.556 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.41 -46.78 37.99 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.988 1.315 . . . . 0.0 111.304 175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.799 HD22 HG13 ' A' ' 18' ' ' VAL . 80.4 mt -67.84 -16.12 63.95 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.759 1.223 . . . . 0.0 113.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.475 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 17.6 t -48.79 -32.14 8.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.376 2.271 . . . . 0.0 113.061 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -65.78 0.56 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.912 1.285 . . . . 0.0 112.516 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.729 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.34 -22.63 62.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -54.37 -54.78 35.96 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.466 1.506 . . . . 0.0 111.47 175.1 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 48.24 31.75 2.78 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.973 1.709 . . . . 0.0 114.732 -176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 -168.93 2.95 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.211 2.205 . . . . 0.0 111.844 -171.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 p -62.08 147.92 45.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.072 1.749 . . . . 0.0 111.38 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.34 -28.15 7.45 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 119.709 1.14 . . . . 0.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.35 -23.87 6.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.142 1.777 . . . . 0.0 112.437 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -59.73 4.76 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 120.239 1.381 . . . . 0.0 109.103 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.1 mt -78.84 -39.54 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.317 1.047 . . . . 0.0 111.23 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.47 -46.72 89.05 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.876 0.87 . . . . 0.0 111.71 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -74.78 -29.46 61.12 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.3 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -26.94 13.64 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 120.22 1.373 . . . . 0.0 112.77 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 87' ' ' LEU . 72.7 mt -54.02 -38.56 65.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.418 1.087 . . . . 0.0 112.526 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -64.46 -24.43 67.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.482 1.113 . . . . 0.0 113.584 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -93.75 -15.59 25.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.552 2.341 . . . . 0.0 112.968 175.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 25' ' ' LEU . 13.7 mt -95.43 -67.51 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 124.66 1.184 . . . . 0.0 111.069 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.673 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -76.86 -12.45 59.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.444 1.098 . . . . 0.0 112.87 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 60.36 69.84 0.66 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.788 2.435 . . . . 0.0 113.385 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -60.81 1.85 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.186 0.994 . . . . 0.0 112.883 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 127.651 2.38 . . . . 0.0 115.729 179.642 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.401 -0.279 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 t -159.12 99.39 1.5 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.837 1.655 . . . . 0.0 110.771 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.13 164.42 30.64 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.08 1.752 . . . . 0.0 111.575 175.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.2 tpt -143.08 108.91 5.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.793 1.637 . . . . 0.0 110.372 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.75 -83.73 0.17 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.074 1.321 . . . . 0.0 112.617 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -144.69 179.26 7.41 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.039 1.735 . . . . 0.0 111.637 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.64 -30.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 O-C-N 121.503 -0.748 . . . . 0.0 112.98 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.75 -8.62 9.31 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.474 1.512 . . . . 0.0 115.287 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.61 -177.84 3.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.607 1.963 . . . . 0.0 111.825 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.77 -78.68 0.58 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.56 1.544 . . . . 0.0 110.348 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -151.79 -32.82 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.364 1.066 . . . . 0.0 112.638 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 tp -59.1 109.89 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.505 1.522 . . . . 0.0 112.838 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.88 177.63 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.681 1.992 . . . . 0.0 112.364 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.6 p -117.47 -179.87 3.85 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.337 1.855 . . . . 0.0 110.739 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -26.4 7.09 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.493 1.117 . . . . 0.0 113.764 175.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.71 -55.91 26.62 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.989 -1.069 . . . . 0.0 112.818 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -43.0 93.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 117.705 -1.14 . . . . 0.0 109.719 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.2 t -54.66 -44.36 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.183 0.901 . . . . 0.0 110.692 -177.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -69.08 -32.43 71.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.745 -1.222 . . . . 0.0 113.68 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -73.46 -55.28 6.56 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.222 1.009 . . . . 0.0 112.577 176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.605 ' CG1' HD21 ' A' ' 91' ' ' LEU . 9.9 p -54.43 -38.72 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.893 1.277 . . . . 0.0 111.639 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.5 m-85 -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -79.99 -25.27 40.38 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.132 1.373 . . . . 0.0 112.813 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.39 -54.3 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.451 1.1 . . . . 0.0 110.698 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -80.67 -11.2 59.67 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.299 1.04 . . . . 0.0 113.686 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.36 126.18 30.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.996 1.319 . . . . 0.0 111.394 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.44 -2.59 56.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.66 1.184 . . . . 0.0 113.944 177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.56 12.34 1.66 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.996 1.719 . . . . 0.0 114.447 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.405 HD11 HD13 ' A' ' 65' ' ' LEU . 2.7 pp -99.14 0.7 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.844 2.458 . . . . 0.0 113.716 -175.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -45.4 104.27 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.656 1.983 . . . . 0.0 112.621 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.46 136.67 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.64 1.176 . . . . 0.0 110.701 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.35 138.75 58.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.387 0.675 . . . . 0.0 111.19 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 p -60.58 -33.28 72.49 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -70.16 -44.28 69.14 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.436 -0.79 . . . . 0.0 110.699 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.2 m -73.94 -23.71 59.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.442 1.097 . . . . 0.0 113.077 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -52.61 -45.44 66.57 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.512 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.02 -31.56 51.61 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -85.56 -43.77 13.22 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.678 1.591 . . . . 0.0 111.241 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -36.63 59.82 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.104 0.962 . . . . 0.0 112.515 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -51.58 -41.87 61.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.985 0.914 . . . . 0.0 111.253 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmt-85 -62.51 -64.45 0.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.715 1.206 . . . . 0.0 112.33 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -54.13 -45.31 71.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.157 0.583 . . . . 0.0 111.464 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.4 m-30 -59.56 -42.0 91.44 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.138 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.72 65.22 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.496 1.044 . . . . 0.0 112.165 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -81.39 -36.75 29.18 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.918 0.887 . . . . 0.0 112.114 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -22.85 14.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 174.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 59' ' ' VAL . 3.8 mm -70.55 -16.74 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.136 1.374 . . . . 0.0 112.76 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -29.15 4.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.825 1.25 . . . . 0.0 112.662 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -116.99 -26.5 6.84 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.675 1.19 . . . . 0.0 112.782 -173.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.94 143.05 37.39 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 125.549 1.547 . . . . 0.0 111.404 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.96 171.87 12.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 124.113 0.965 . . . . 0.0 112.603 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.416 HG11 HG21 ' A' ' 13' ' ' ILE . 2.2 p -48.97 -47.54 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.362 1.865 . . . . 0.0 112.28 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -62.64 -35.82 80.84 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.52 1.128 . . . . 0.0 110.429 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 59' ' ' VAL . 38.6 mt-10 -72.93 -48.18 39.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.942 1.297 . . . . 0.0 112.605 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.6 mm -50.42 -51.91 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 120.686 1.584 . . . . 0.0 112.522 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -45.26 79.25 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.01 -37.53 85.25 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.416 -0.803 . . . . 0.0 113.043 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 48' ' ' ILE . 97.4 t -61.29 -60.45 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.913 -1.117 . . . . 0.0 111.386 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -31.66 71.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HD3' ' HB3' ' A' ' 25' ' ' LEU . 18.6 ttp180 -58.74 -57.07 14.65 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.894 1.278 . . . . 0.0 109.686 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.22 -45.14 80.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.885 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.91 -39.31 68.65 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.628 1.171 . . . . 0.0 112.577 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CE2' HD11 ' A' ' 80' ' ' LEU . 5.4 m-85 -70.58 -50.24 39.42 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.057 0.844 . . . . 0.0 113.095 175.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 30' ' ' ILE . 5.6 mp -67.94 -20.96 65.12 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.263 -0.898 . . . . 0.0 113.001 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -47.13 80.96 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.095 1.758 . . . . 0.0 113.216 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -29.33 51.14 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 111.352 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.84 8.53 87.38 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.92 1.724 . . . . 0.0 114.074 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -156.66 168.98 25.76 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.589 1.556 . . . . 0.0 111.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -15.19 62.55 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.28 56.94 2.19 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 111.406 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 80' ' ' LEU . 25.2 mt -60.19 154.72 19.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.638 1.175 . . . . 0.0 112.557 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -83.04 164.68 20.18 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.059 0.944 . . . . 0.0 110.954 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -52.84 -40.1 63.07 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.193 0.997 . . . . 0.0 112.254 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.48 -52.61 51.53 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.534 1.064 . . . . 0.0 113.569 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -41.39 81.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.192 1.496 . . . . 0.0 111.832 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -38.15 61.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.219 1.007 . . . . 0.0 112.63 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -59.49 3.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.003 1.321 . . . . 0.0 112.961 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.8 ttm -76.47 -37.35 57.01 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.752 HD22 HD12 ' A' ' 72' ' ' LEU . 3.9 tp -53.09 -51.42 61.91 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 123.739 0.816 . . . . 0.0 111.348 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -51.44 -35.88 41.52 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.916 1.286 . . . . 0.0 112.864 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -49.85 20.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.351 1.061 . . . . 0.0 111.635 175.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.84 -32.27 73.45 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -51.7 68.82 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.55 2.34 . . . . 0.0 110.999 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -58.18 -25.06 61.09 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.54 1.136 . . . . 0.0 112.62 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.416 HD23 ' HD2' ' A' ' 89' ' ' LYS . 65.8 mt -92.46 -38.08 12.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.557 1.143 . . . . 0.0 112.972 175.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 106' ' ' LEU . 14.7 tp -47.46 -57.41 5.38 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.07 1.348 . . . . 0.0 110.152 177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -18.37 20.02 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HD2' HD23 ' A' ' 86' ' ' LEU . 10.8 ttmt -64.59 -43.02 95.15 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.868 1.667 . . . . 0.0 113.146 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -81.33 -48.97 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.01 0.909 . . . . 0.0 108.915 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.671 HD22 HG13 ' A' ' 18' ' ' VAL . 95.9 mt -61.7 -19.98 62.96 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.115 1.766 . . . . 0.0 114.058 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -49.11 -26.34 2.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.359 2.263 . . . . 0.0 113.987 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -70.13 0.17 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.964 1.306 . . . . 0.0 111.545 175.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.779 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.81 -18.2 61.49 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -46.72 55.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.925 1.29 . . . . 0.0 111.546 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.0 t70 47.05 30.31 1.27 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.769 2.028 . . . . 0.0 114.262 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 t -159.73 -164.24 1.3 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.689 1.996 . . . . 0.0 112.391 -171.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -69.75 163.19 26.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.583 1.153 . . . . 0.0 112.076 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -55.87 -27.75 53.29 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.811 -1.181 . . . . 0.0 113.07 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.56 -26.22 12.71 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.896 1.678 . . . . 0.0 112.731 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.12 -55.29 34.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.913 1.233 . . . . 0.0 110.939 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -81.3 -43.43 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.964 1.305 . . . . 0.0 112.031 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -58.17 -47.43 83.42 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.799 0.727 . . . . 0.0 111.583 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -74.79 -19.77 60.07 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.933 0.893 . . . . 0.0 112.672 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.75 -21.51 64.36 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 119.739 -1.85 . . . . 0.0 111.114 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 87' ' ' LEU . 88.9 mt -58.05 -40.56 81.24 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 120.905 -1.122 . . . . 0.0 112.979 178.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -20.75 66.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 175.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -89.72 -28.95 19.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.616 2.367 . . . . 0.0 112.384 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 25' ' ' LEU . 56.3 mt -79.78 -54.13 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 125.201 1.4 . . . . 0.0 110.517 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.0 m-85 -94.42 1.02 55.82 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.653 1.581 . . . . 0.0 113.575 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.4 t30 53.95 78.85 0.15 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.171 2.588 . . . . 0.0 114.148 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.85 98.93 5.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.14 1.376 . . . . 0.0 112.617 -170.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 124.856 1.263 . . . . 0.0 113.949 -177.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -86.2 106.92 17.65 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.152 0.976 . . . . 0.0 111.493 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -116.37 144.36 44.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.208 1.403 . . . . 0.0 110.739 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.9 mtt -123.82 141.9 51.6 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.032 1.733 . . . . 0.0 110.794 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.66 -47.7 0.64 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.193 1.378 . . . . 0.0 113.27 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 p -115.56 169.06 9.46 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.992 2.117 . . . . 0.0 112.327 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 t -76.86 -48.42 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.05 0.94 . . . . 0.0 112.092 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.56 -21.17 3.26 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.463 1.506 . . . . 0.0 114.903 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.494 HD11 HG12 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.12 -168.67 1.74 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.59 1.556 . . . . 0.0 111.555 175.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -114.88 -86.31 0.6 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.269 1.828 . . . . 0.0 109.559 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.69 -33.34 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.003 1.321 . . . . 0.0 112.307 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 tp -59.21 109.11 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.772 1.229 . . . . 0.0 111.931 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -143.14 175.83 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 125.852 1.661 . . . . 0.0 111.658 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -118.59 178.17 4.56 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.054 1.742 . . . . 0.0 110.519 175.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -50.7 -30.75 14.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.054 1.341 . . . . 0.0 113.073 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.43 -59.7 3.74 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.015 1.726 . . . . 0.0 112.789 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.38 -34.33 78.05 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.275 1.03 . . . . 0.0 110.695 177.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD22 ' A' ' 91' ' ' LEU . 87.3 t -57.42 -50.88 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.163 0.892 . . . . 0.0 110.118 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -31.74 68.33 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.308 -0.87 . . . . 0.0 112.799 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -75.37 -55.79 5.35 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.311 1.045 . . . . 0.0 112.15 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.531 HG11 HD21 ' A' ' 91' ' ' LEU . 12.7 p -56.52 -37.9 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.436 1.017 . . . . 0.0 111.561 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE1' HD13 ' A' ' 91' ' ' LEU . 3.7 m-85 -59.87 -30.05 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.017 0.527 . . . . 0.0 111.868 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.38 -22.58 38.25 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 0.0 113.572 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.45 -47.94 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.601 1.16 . . . . 0.0 110.353 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD21 ' HB1' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -84.38 -16.89 41.19 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG23 ' A' ' 109' ' ' ILE . 6.1 tptp -55.84 -26.52 47.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.098 1.359 . . . . 0.0 113.912 176.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -79.2 125.97 30.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.813 1.245 . . . . 0.0 112.515 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 65' ' ' LEU . 12.9 mmmm -89.05 5.05 46.21 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.734 1.614 . . . . 0.0 114.007 178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -97.23 18.57 14.74 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.387 1.875 . . . . 0.0 113.088 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 65' ' ' LEU . 2.5 pp -99.29 -7.48 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.008 1.723 . . . . 0.0 113.043 -178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 t -41.36 104.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.107 2.163 . . . . 0.0 111.863 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.62 141.22 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.574 1.15 . . . . 0.0 110.402 -177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.21 149.86 49.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.836 0.855 . . . . 0.0 111.86 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -41.44 90.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.413 1.085 . . . . 0.0 113.104 -177.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -62.86 -44.12 96.96 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.445 1.098 . . . . 0.0 111.051 175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -74.36 -28.26 61.04 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.226 1.01 . . . . 0.0 112.555 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -53.49 -52.1 60.65 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.877 1.271 . . . . 0.0 112.038 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -54.24 -28.82 43.86 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -79.85 -52.82 7.41 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.474 1.909 . . . . 0.0 111.252 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.28 56.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.388 1.475 . . . . 0.0 113.234 176.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -50.58 -40.55 52.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.799 1.24 . . . . 0.0 111.093 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -59.68 3.95 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.404 1.482 . . . . 0.0 113.042 -178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.64 -47.5 79.6 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 110.573 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' HB3' HG13 ' A' ' 59' ' ' VAL . 12.3 m-30 -56.87 -43.37 81.15 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 117.877 -1.058 . . . . 0.0 111.97 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -30.58 67.76 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.577 1.08 . . . . 0.0 112.583 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -78.99 -41.55 28.76 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.764 1.226 . . . . 0.0 111.552 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.08 -17.13 6.2 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.047 -1.033 . . . . 0.0 113.265 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 59' ' ' VAL . 5.4 mm -70.51 -23.87 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.138 1.775 . . . . 0.0 112.745 177.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -120.24 -26.52 5.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.669 1.188 . . . . 0.0 113.399 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 p -111.28 -26.17 9.3 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.033 0.933 . . . . 0.0 112.731 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 150.21 43.61 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 124.305 0.955 . . . . 0.0 111.318 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 179.1 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.95 -1.125 . . . . 0.0 112.788 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG12 HD11 ' A' ' 9' ' ' LEU . 6.6 p -46.57 -51.75 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.731 1.212 . . . . 0.0 113.023 174.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -60.34 -34.04 73.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.05 1.34 . . . . 0.0 112.639 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.0 mt-10 -78.31 -50.98 10.81 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.225 1.01 . . . . 0.0 112.557 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.2 mm -48.83 -50.53 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.143 1.377 . . . . 0.0 112.17 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' A' ' 25' ' ' LEU . . . -58.18 -47.16 84.27 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.577 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.19 -38.15 76.17 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 48' ' ' ILE . 84.4 t -60.38 -64.92 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.243 1.017 . . . . 0.0 110.294 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.61 -32.85 65.68 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 21.5 ttp180 -61.31 -56.97 14.44 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.187 1.395 . . . . 0.0 110.301 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.91 -49.24 66.32 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.95 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mp -54.96 -41.98 71.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.678 0.791 . . . . 0.0 112.022 175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.407 ' HA ' HD11 ' A' ' 72' ' ' LEU . 1.2 m-85 -63.38 -50.37 70.15 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.474 -1.392 . . . . 0.0 113.915 175.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 30' ' ' ILE . 6.4 mp -68.92 -25.92 64.82 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.13 -37.07 68.96 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.333 1.453 . . . . 0.0 112.84 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -29.26 13.34 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.154 1.382 . . . . 0.0 112.555 177.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.07 19.7 74.09 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.899 1.238 . . . . 0.0 114.269 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.6 158.59 44.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.93 1.692 . . . . 0.0 110.857 -175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -60.59 -38.84 85.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.531 1.133 . . . . 0.0 113.542 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -85.93 82.43 8.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.056 1.342 . . . . 0.0 110.75 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 64' ' ' TYR . 1.1 mp -64.65 159.41 22.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -65.36 153.63 40.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 122.081 -0.387 . . . . 0.0 110.31 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -53.55 -46.27 70.17 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.781 0.832 . . . . 0.0 112.244 177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.77 -39.67 97.78 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 123.695 0.664 . . . . 0.0 113.73 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -72.8 -49.62 29.38 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.39 1.076 . . . . 0.0 111.0 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -49.35 -33.65 13.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.047 1.739 . . . . 0.0 112.512 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -58.27 7.25 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.316 1.446 . . . . 0.0 112.62 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ttm -76.4 -39.16 54.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.669 0.788 . . . . 0.0 112.188 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tp -55.15 -46.73 75.72 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.942 0.897 . . . . 0.0 111.406 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -50.33 -38.35 41.38 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.915 1.286 . . . . 0.0 112.769 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -51.08 23.0 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.909 1.284 . . . . 0.0 111.473 175.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.27 -27.65 69.16 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -63.24 -55.51 24.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.131 2.172 . . . . 0.0 111.141 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -58.94 -21.56 58.39 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.558 1.143 . . . . 0.0 112.651 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.39 -39.35 11.49 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 125.331 1.452 . . . . 0.0 113.579 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.654 ' CD2' HD21 ' A' ' 106' ' ' LEU . 13.6 tp -48.79 -57.73 5.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.074 1.35 . . . . 0.0 109.941 177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.13 20.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -63.46 -47.47 81.69 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.388 1.875 . . . . 0.0 112.002 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -80.76 -48.28 12.72 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.725 0.774 . . . . 0.0 109.961 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.758 HD22 HG13 ' A' ' 18' ' ' VAL . 87.8 mt -61.95 -19.37 62.68 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.361 1.464 . . . . 0.0 113.049 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.1 t -42.76 -38.35 2.07 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 128.238 2.615 . . . . 0.0 112.862 175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -61.08 2.69 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.307 1.043 . . . . 0.0 111.843 177.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.683 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -72.97 -21.21 60.89 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -46.66 71.3 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.038 1.335 . . . . 0.0 111.301 175.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t0 44.85 36.92 2.05 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.817 2.047 . . . . 0.0 113.81 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -165.44 0.68 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.056 2.142 . . . . 0.0 112.078 -170.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -66.32 161.34 22.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.791 1.237 . . . . 0.0 112.038 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -55.27 -28.55 54.17 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.933 -1.105 . . . . 0.0 113.104 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -26.26 13.61 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 112.66 175.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -55.43 -55.22 34.19 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.824 1.193 . . . . 0.0 111.12 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mt -81.07 -43.54 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.81 1.244 . . . . 0.0 112.63 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.67 -47.19 82.99 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.595 -0.691 . . . . 0.0 111.059 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.7 t -74.77 -21.99 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.503 175.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.59 -21.01 66.14 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.852 -1.78 . . . . 0.0 110.792 175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 87' ' ' LEU . 86.5 mt -55.74 -44.2 77.34 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.474 -1.391 . . . . 0.0 112.767 176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -29.59 70.49 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.91 -36.94 56.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.014 1.726 . . . . 0.0 111.512 174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 25' ' ' LEU . 38.1 mt -76.48 -59.89 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.344 1.058 . . . . 0.0 110.684 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -83.21 6.49 19.26 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.755 1.222 . . . . 0.0 112.93 -177.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.4 m120 45.96 56.07 6.41 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.229 2.612 . . . . 0.0 113.302 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -87.89 -28.5 21.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.986 1.314 . . . . 0.0 112.316 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.23 2.212 . . . . 0.0 112.266 -179.006 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -63.54 104.12 0.61 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.343 1.071 . . . . 0.0 112.119 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -60.85 -35.99 77.97 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.866 1.267 . . . . 0.0 113.556 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ttm -141.15 139.24 33.88 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.753 1.621 . . . . 0.0 110.211 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.24 -142.74 9.19 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.455 1.026 . . . . 0.0 112.492 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.65 166.28 2.58 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.865 1.666 . . . . 0.0 112.871 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -63.45 -37.82 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 121.349 -0.844 . . . . 0.0 112.696 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.27 -9.97 5.91 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.614 1.578 . . . . 0.0 114.899 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.27 -173.78 2.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.403 2.281 . . . . 0.0 111.487 175.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -115.96 -84.35 0.63 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.557 1.943 . . . . 0.0 110.187 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -145.06 -31.99 0.4 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.379 1.472 . . . . 0.0 112.661 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 114.42 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.193 . . . . 0.0 112.017 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG21 HG11 ' A' ' 53' ' ' VAL . 2.5 pp -147.6 178.02 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.832 2.053 . . . . 0.0 111.909 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -120.68 179.32 4.38 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.319 1.847 . . . . 0.0 110.377 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.23 -25.66 3.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -55.97 -58.8 6.37 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.781 1.232 . . . . 0.0 113.089 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -42.57 90.93 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.965 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.687 HG13 HD22 ' A' ' 91' ' ' LEU . 46.8 t -51.63 -34.39 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 118.997 0.817 . . . . 0.0 111.345 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -74.85 -42.97 56.94 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.181 -1.574 . . . . 0.0 112.694 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.66 -52.05 42.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.65 0.78 . . . . 0.0 112.137 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 91' ' ' LEU . 11.1 p -54.55 -39.81 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.194 0.907 . . . . 0.0 111.871 175.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.1 m-85 -60.15 -29.71 68.84 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.812 0.733 . . . . 0.0 112.75 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -77.4 -30.84 53.76 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.935 1.294 . . . . 0.0 112.416 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.97 -53.25 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.045 -1.034 . . . . 0.0 111.132 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.37 -9.84 59.68 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -56.5 -22.9 35.81 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -82.89 121.62 27.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.179 0.992 . . . . 0.0 112.07 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.655 ' HA ' HD21 ' A' ' 65' ' ' LEU . 2.1 mppt? -90.55 14.09 14.12 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.59 6.07 31.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 0.0 113.459 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.597 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -78.44 -8.18 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 126.084 1.753 . . . . 0.0 113.941 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -48.39 115.63 1.29 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.555 1.942 . . . . 0.0 113.106 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.732 HG21 ' HG3' ' A' ' 40' ' ' ARG . 7.9 p -80.3 152.7 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.827 -0.546 . . . . 0.0 111.25 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.17 140.25 58.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.017 . . . . 0.0 111.471 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -57.74 -25.08 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -73.54 -60.28 2.32 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.269 1.027 . . . . 0.0 110.916 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -62.54 -24.6 67.6 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.204 1.001 . . . . 0.0 112.691 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -49.87 -44.26 49.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.7 1.2 . . . . 0.0 112.862 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.15 -32.29 66.23 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.15 -41.44 14.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.397 1.479 . . . . 0.0 111.928 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.732 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.2 mmt180 -54.07 -35.1 61.67 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.104 1.362 . . . . 0.0 111.989 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.81 -42.45 68.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.808 0.843 . . . . 0.0 110.261 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -65.12 -56.51 12.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.98 1.312 . . . . 0.0 113.308 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.54 -49.84 69.31 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 118.623 0.647 . . . . 0.0 111.421 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.645 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -62.42 -35.34 78.94 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.117 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.56 65.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.716 1.206 . . . . 0.0 112.412 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -76.44 -39.37 53.57 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.331 -0.855 . . . . 0.0 111.381 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -55.37 -20.75 12.83 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.84 -19.48 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.338 1.055 . . . . 0.0 112.913 177.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -120.42 -32.74 4.03 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.931 1.692 . . . . 0.0 112.01 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -111.87 -32.9 6.46 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.058 1.343 . . . . 0.0 112.255 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.1 145.46 46.39 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 125.813 1.673 . . . . 0.0 111.937 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -82.83 179.14 7.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.158 -1.021 . . . . 0.0 113.257 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 13' ' ' ILE . 3.6 p -47.89 -50.76 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.316 1.447 . . . . 0.0 113.524 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -59.92 -30.0 68.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.041 1.336 . . . . 0.0 112.229 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.2 mt-10 -85.42 -45.18 12.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.606 1.562 . . . . 0.0 112.22 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.44 -51.18 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 125.464 1.506 . . . . 0.0 111.474 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.76 80.66 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.59 -36.72 79.25 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.855 HG11 HD11 ' A' ' 48' ' ' ILE . 83.2 t -65.35 -61.89 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 123.811 0.844 . . . . 0.0 111.009 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.49 -32.83 65.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.3 ttp180 -59.58 -57.04 14.67 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 125.557 1.543 . . . . 0.0 109.872 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.38 -56.55 9.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.26 -0.4 . . . . 0.0 111.03 175.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.29 -40.07 58.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.173 0.989 . . . . 0.0 113.12 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.88 -50.46 62.42 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.655 HD21 ' HA ' ' A' ' 28' ' ' LYS . 5.0 mp -67.86 -19.33 65.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -47.53 68.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.647 1.112 . . . . 0.0 112.125 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -85.79 -28.52 24.47 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.431 0.692 . . . . 0.0 111.574 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.05 17.79 78.82 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.85 1.214 . . . . 0.0 113.47 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -151.21 171.6 17.15 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.921 1.688 . . . . 0.0 111.516 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -26.42 64.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -94.33 79.18 3.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.347 1.459 . . . . 0.0 112.339 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.639 HD12 HD22 ' A' ' 80' ' ' LEU . 33.7 mt -68.37 163.4 23.22 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.237 1.015 . . . . 0.0 112.609 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.7 m -63.96 152.7 39.3 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.899 -0.501 . . . . 0.0 111.334 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -51.46 -43.53 62.13 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.927 0.891 . . . . 0.0 111.977 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.29 -52.54 46.26 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.46 1.029 . . . . 0.0 113.038 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -55.07 -43.34 73.79 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.705 1.252 . . . . 0.0 111.889 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -56.03 -29.4 60.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.344 1.058 . . . . 0.0 113.31 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -55.32 35.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.871 1.268 . . . . 0.0 111.638 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttm -76.16 -39.79 54.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.574 0.749 . . . . 0.0 111.898 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 HD12 ' A' ' 72' ' ' LEU . 1.9 tp -56.14 -48.14 76.84 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.458 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.21 -41.14 26.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.534 1.133 . . . . 0.0 112.842 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -73.61 -51.42 16.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.883 0.873 . . . . 0.0 111.376 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.52 67.25 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.919 0.887 . . . . 0.0 113.262 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -53.82 41.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.05 2.14 . . . . 0.0 110.643 174.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -60.25 -20.73 60.19 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.36 1.064 . . . . 0.0 112.698 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.43 -40.14 11.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.49 1.516 . . . . 0.0 112.447 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 106' ' ' LEU . 13.6 tp -47.46 -59.78 2.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.121 1.368 . . . . 0.0 110.616 176.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -18.23 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -65.34 -43.52 90.66 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.163 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.5 -48.99 11.98 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.815 0.817 . . . . 0.0 109.556 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.687 HD22 HG13 ' A' ' 18' ' ' VAL . 86.4 mt -63.15 -19.02 64.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.822 1.649 . . . . 0.0 113.3 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.61 -38.13 1.91 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.312 2.645 . . . . 0.0 113.161 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -59.52 4.62 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.757 1.223 . . . . 0.0 112.459 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.604 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -78.99 -21.94 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -45.53 54.61 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.909 1.284 . . . . 0.0 111.108 175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 t70 48.05 28.64 1.52 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.991 2.116 . . . . 0.0 114.128 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.03 -163.74 1.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.279 2.231 . . . . 0.0 111.835 -170.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 m -66.84 161.74 23.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.863 1.265 . . . . 0.0 111.902 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -55.52 -28.3 53.9 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 121.099 -1.0 . . . . 0.0 113.245 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -27.37 13.23 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.965 1.706 . . . . 0.0 112.864 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.54 -52.23 65.55 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.813 1.188 . . . . 0.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.28 -47.17 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.548 1.139 . . . . 0.0 112.26 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -56.34 -45.81 80.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.674 0.79 . . . . 0.0 111.444 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -74.61 -32.5 62.34 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 111.98 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.04 -23.77 62.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.951 1.25 . . . . 0.0 111.923 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.697 HD21 HD21 ' A' ' 87' ' ' LEU . 90.5 mt -56.56 -31.88 64.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.099 0.863 . . . . 0.0 111.697 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -60.18 -29.38 68.65 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -92.41 -23.7 19.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.595 1.958 . . . . 0.0 112.624 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 25' ' ' LEU . 51.2 mt -82.04 -43.24 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.041 1.336 . . . . 0.0 111.936 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.672 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.4 m-85 -108.7 5.64 25.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.709 1.204 . . . . 0.0 113.235 -177.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 55.15 51.18 13.72 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.17 2.188 . . . . 0.0 113.381 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.64 -34.63 19.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.233 1.413 . . . . 0.0 113.129 -175.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.335 0 C-N-CA 128.135 2.574 . . . . 0.0 114.239 -171.151 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.74 92.45 2.82 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.294 1.038 . . . . 0.0 111.416 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -156.39 -64.97 0.11 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.507 0.723 . . . . 0.0 112.666 178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.18 140.35 48.72 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.164 1.386 . . . . 0.0 111.233 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.0 79.79 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.807 1.67 . . . . 0.0 111.837 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.93 137.71 33.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.942 1.297 . . . . 0.0 110.66 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.18 -32.82 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -10.44 7.56 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.058 1.79 . . . . 0.0 114.587 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.42 -169.67 1.54 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.954 2.102 . . . . 0.0 111.339 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -126.66 -88.81 0.56 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.046 2.139 . . . . 0.0 108.862 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -137.63 -36.75 0.62 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.729 1.612 . . . . 0.0 112.395 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.05 114.14 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.463 1.105 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.69 175.85 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.346 1.858 . . . . 0.0 112.067 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -112.58 179.32 4.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.13 1.772 . . . . 0.0 110.67 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.06 -24.97 11.14 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.49 -56.2 24.26 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.274 1.029 . . . . 0.0 112.947 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -42.83 89.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.07 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.76 HG11 ' HB3' ' A' ' 94' ' ' ALA . 67.5 t -54.7 -49.32 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.969 0.804 . . . . 0.0 110.037 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -65.69 -29.63 70.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.082 -1.011 . . . . 0.0 113.113 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.68 -55.96 5.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 112.771 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' A' ' 91' ' ' LEU . 8.8 p -55.08 -39.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.068 1.347 . . . . 0.0 111.032 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.0 m-85 -58.82 -32.36 69.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.241 0.616 . . . . 0.0 112.091 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -24.15 46.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.822 1.249 . . . . 0.0 113.638 175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.03 -53.86 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.768 1.227 . . . . 0.0 110.387 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -81.18 -9.54 59.78 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -58.94 -29.96 67.51 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.03 134.04 40.21 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.53 1.132 . . . . 0.0 110.926 175.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -90.67 -2.62 57.83 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -83.39 18.38 1.83 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.94 1.696 . . . . 0.0 114.376 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 65' ' ' LEU . 2.3 pp -103.37 7.18 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 128.096 2.559 . . . . 0.0 113.163 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 p -49.83 127.18 15.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.292 1.437 . . . . 0.0 112.856 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.44 127.97 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.58 1.152 . . . . 0.0 109.79 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.4 140.84 58.91 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.352 1.061 . . . . 0.0 112.513 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -33.22 75.19 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -175.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.2 m -64.22 -42.94 96.37 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 121.225 -0.922 . . . . 0.0 111.393 175.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -82.5 -20.36 36.91 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.802 1.241 . . . . 0.0 112.493 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -44.59 68.39 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 0.0 112.673 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -52.63 -34.36 50.96 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -86.63 -40.82 14.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.082 1.353 . . . . 0.0 111.341 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -55.19 -33.92 63.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.784 1.634 . . . . 0.0 112.515 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.42 -40.74 68.59 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.615 0.766 . . . . 0.0 110.676 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -66.93 -55.93 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.435 1.494 . . . . 0.0 113.077 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.56 -52.65 61.41 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.645 0.657 . . . . 0.0 110.773 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.5 m-30 -59.84 -36.0 75.91 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.95 -1.024 . . . . 0.0 113.078 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -31.58 62.94 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.18 1.355 . . . . 0.0 112.908 175.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.96 -38.62 36.56 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.314 -0.866 . . . . 0.0 111.311 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -19.51 17.62 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.763 HD11 HG11 ' A' ' 59' ' ' VAL . 4.0 mm -73.15 -17.32 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.694 1.198 . . . . 0.0 113.123 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -122.64 -31.89 3.66 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.907 1.683 . . . . 0.0 112.045 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 p -116.89 -28.48 6.29 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.359 1.464 . . . . 0.0 112.257 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.19 140.42 37.59 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 125.006 1.289 . . . . 0.0 111.265 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.15 174.86 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.259 -0.97 . . . . 0.0 112.455 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -47.07 -51.32 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.008 1.723 . . . . 0.0 113.082 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -58.08 -33.92 69.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.836 1.255 . . . . 0.0 111.337 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.66 -46.23 19.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.399 1.08 . . . . 0.0 113.507 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.9 mm -50.83 -50.58 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 120.714 1.597 . . . . 0.0 111.653 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.6 89.77 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 174.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.36 -35.43 80.37 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.787 -1.196 . . . . 0.0 113.399 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 48' ' ' ILE . 80.3 t -59.57 -66.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.807 0.843 . . . . 0.0 110.277 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.543 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -57.45 -32.86 67.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -57.23 -57.32 13.12 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.956 1.702 . . . . 0.0 110.292 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -56.06 -45.84 79.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.904 -0.569 . . . . 0.0 109.788 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.88 -37.86 77.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.475 1.11 . . . . 0.0 113.618 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.5 m-85 -68.09 -50.69 53.38 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.899 0.772 . . . . 0.0 113.081 175.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 30' ' ' ILE . 5.6 mp -70.24 -23.51 62.92 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.506 -0.746 . . . . 0.0 112.673 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.35 -35.92 68.2 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.834 1.254 . . . . 0.0 111.321 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD3' ' H ' ' A' ' 73' ' ' SER . 2.6 tptt -93.54 -32.15 14.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.058 0.543 . . . . 0.0 112.189 175.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.0 11.42 66.69 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.212 0.91 . . . . 0.0 114.339 -174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -130.62 157.34 43.0 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.141 1.776 . . . . 0.0 111.42 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.94 -38.65 91.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.118 1.367 . . . . 0.0 112.992 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -92.77 86.34 5.49 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.859 1.664 . . . . 0.0 109.898 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD12 HD22 ' A' ' 80' ' ' LEU . 60.6 mt -66.28 159.52 26.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.681 0.792 . . . . 0.0 112.227 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' HD3' ' A' ' 67' ' ' LYS . 2.1 m -65.58 152.85 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.711 0.804 . . . . 0.0 110.504 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -50.15 -43.99 52.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.086 0.954 . . . . 0.0 112.472 175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.05 80.72 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.571 1.082 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.63 -45.02 66.0 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.814 1.307 . . . . 0.0 111.535 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -50.24 -36.73 32.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.424 1.489 . . . . 0.0 112.885 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -50.48 -59.18 4.28 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.21 1.804 . . . . 0.0 113.368 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.7 ttm -76.28 -33.59 59.11 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.913 0.779 . . . . 0.0 111.882 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.766 HD22 HD12 ' A' ' 72' ' ' LEU . 4.5 tp -54.0 -49.19 69.4 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.53 175.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -52.68 -39.37 61.87 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.56 1.144 . . . . 0.0 111.947 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -51.95 35.13 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.408 1.083 . . . . 0.0 111.364 175.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.52 -26.79 68.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -64.68 -53.41 47.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.12 2.168 . . . . 0.0 111.348 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -22.46 56.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.921 0.889 . . . . 0.0 112.56 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.6 mt -92.39 -39.41 11.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.225 1.41 . . . . 0.0 113.129 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 106' ' ' LEU . 16.3 tp -48.46 -57.56 5.93 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.503 1.521 . . . . 0.0 110.364 176.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -21.25 23.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 118.655 -0.688 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -45.63 85.16 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.415 1.486 . . . . 0.0 112.712 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.85 -48.83 10.33 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.117 0.961 . . . . 0.0 109.815 -176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 18' ' ' VAL . 90.6 mt -60.73 -22.29 63.86 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.809 2.044 . . . . 0.0 113.608 177.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -28.08 2.45 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 128.225 2.61 . . . . 0.0 113.868 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -67.52 0.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.819 1.247 . . . . 0.0 111.218 174.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.76 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.12 -19.77 61.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -46.62 53.13 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.092 1.357 . . . . 0.0 111.962 175.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.6 t70 47.35 27.95 0.99 Allowed 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 126.611 1.964 . . . . 0.0 114.655 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.38 -167.31 2.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.327 2.251 . . . . 0.0 111.715 -169.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.38 158.79 25.67 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.858 -1.151 . . . . 0.0 111.651 174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -54.66 -28.05 44.48 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 121.286 -0.884 . . . . 0.0 112.854 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.26 -26.54 12.16 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.043 1.737 . . . . 0.0 112.217 174.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -59.78 4.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.405 1.457 . . . . 0.0 109.603 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.5 mt -79.51 -42.99 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.479 1.112 . . . . 0.0 111.619 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.84 -49.33 71.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.021 0.929 . . . . 0.0 111.441 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -74.87 -28.18 60.55 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -25.75 48.81 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.765 1.62 . . . . 0.0 112.71 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 87' ' ' LEU . 82.6 mt -54.42 -34.53 61.52 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.669 0.788 . . . . 0.0 112.181 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -63.0 -32.21 73.51 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.896 0.878 . . . . 0.0 113.122 175.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.83 -25.17 24.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.88 2.072 . . . . 0.0 113.086 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' LEU . 63.3 mt -76.48 -67.03 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.486 1.115 . . . . 0.0 109.975 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.616 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.3 m-85 -83.99 2.68 37.81 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.896 1.679 . . . . 0.0 113.224 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 t30 54.57 57.87 5.38 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 127.401 2.28 . . . . 0.0 113.005 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.02 -34.48 13.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.353 1.461 . . . . 0.0 113.293 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.898 -170.851 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -154.7 35.25 0.4 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -62.67 150.4 41.03 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.669 -1.269 . . . . 0.0 113.049 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -133.95 169.96 16.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.056 2.142 . . . . 0.0 111.151 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -177.18 17.12 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.123 1.344 . . . . 0.0 112.727 -175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -81.38 -74.51 0.33 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.389 1.076 . . . . 0.0 112.018 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -78.42 -35.7 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.586 1.154 . . . . 0.0 111.622 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.28 -12.52 7.12 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.94 1.733 . . . . 0.0 114.61 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.19 176.87 4.94 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.168 1.787 . . . . 0.0 110.713 175.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -53.98 2.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.416 1.886 . . . . 0.0 111.446 -172.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -162.57 -42.64 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.258 1.423 . . . . 0.0 110.828 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 tp -43.63 106.34 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.349 1.86 . . . . 0.0 115.391 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.434 HD13 ' OD1' ' A' ' 17' ' ' ASP . 2.8 pp -148.04 176.4 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.606 1.962 . . . . 0.0 113.519 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p -122.13 177.56 5.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.189 2.195 . . . . 0.0 111.748 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.38 -27.27 9.44 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.621 1.168 . . . . 0.0 113.749 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.18 -57.89 10.89 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.446 1.021 . . . . 0.0 112.99 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' OD1' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -55.3 -38.2 68.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.962 0.905 . . . . 0.0 110.8 175.11 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 94' ' ' ALA . 70.9 t -56.79 -42.02 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -175.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -36.25 83.3 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.107 -0.995 . . . . 0.0 112.941 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.79 -53.95 23.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.748 1.219 . . . . 0.0 112.452 174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.554 ' CG1' HD21 ' A' ' 91' ' ' LEU . 11.6 p -54.67 -38.74 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.041 1.291 . . . . 0.0 111.594 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m-85 -61.91 -28.28 69.41 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -77.54 -30.61 52.86 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.084 1.353 . . . . 0.0 112.598 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.7 -52.57 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -78.72 -11.09 59.96 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 176.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -56.03 -27.83 54.82 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.848 1.259 . . . . 0.0 114.382 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.8 145.35 42.98 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.318 1.047 . . . . 0.0 112.98 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 65' ' ' LEU . 1.8 mmmm -112.31 -3.53 14.53 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.167 1.387 . . . . 0.0 113.994 -175.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.88 6.22 49.12 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.403 1.881 . . . . 0.0 112.838 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 HD22 ' A' ' 65' ' ' LEU . 2.2 pp -75.17 -12.43 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.584 1.953 . . . . 0.0 113.837 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.5 p -46.88 104.24 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.657 2.383 . . . . 0.0 113.225 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG21 ' HG3' ' A' ' 40' ' ' ARG . 5.4 p -70.53 156.96 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 121.493 0.663 . . . . 0.0 112.548 -176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.94 148.47 47.67 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.658 1.183 . . . . 0.0 112.657 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 p -68.2 -35.37 77.88 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 m -66.7 -47.54 72.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.062 0.945 . . . . 0.0 110.486 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.7 m -68.89 -26.28 65.03 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.803 1.241 . . . . 0.0 113.079 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -52.82 -42.87 65.53 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.239 1.016 . . . . 0.0 112.705 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.64 -40.43 62.78 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.176 0.99 . . . . 0.0 113.066 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -82.61 -38.14 23.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.878 1.271 . . . . 0.0 111.646 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.6 mmt180 -55.77 -35.36 66.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.996 1.318 . . . . 0.0 112.148 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -53.37 -44.64 68.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.737 0.815 . . . . 0.0 110.613 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -60.68 -61.26 2.72 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.057 1.343 . . . . 0.0 112.3 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.67 -50.32 66.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.714 0.688 . . . . 0.0 111.383 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.649 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.9 m-30 -59.88 -36.02 76.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.377 -0.82 . . . . 0.0 112.93 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -30.14 67.15 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.881 1.219 . . . . 0.0 112.588 174.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -80.82 -36.5 31.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.15 0.98 . . . . 0.0 111.665 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -18.08 23.26 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 175.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.811 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.86 -26.02 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.465 1.106 . . . . 0.0 112.922 178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.07 -24.44 5.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.885 1.274 . . . . 0.0 113.659 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -110.61 -26.15 9.6 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.236 1.415 . . . . 0.0 112.682 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.83 156.55 47.83 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 124.514 1.054 . . . . 0.0 111.534 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.75 175.67 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.346 -0.927 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 p -52.01 -44.33 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.703 1.601 . . . . 0.0 111.45 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -62.54 -40.16 95.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.453 1.501 . . . . 0.0 110.971 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.1 mt-10 -72.49 -46.67 53.72 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.5 mm -48.48 -48.54 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.327 1.421 . . . . 0.0 111.358 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -59.9 -47.49 85.57 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.45 -34.87 74.62 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 48' ' ' ILE . 89.3 t -63.0 -62.98 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 124.441 1.096 . . . . 0.0 110.473 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.72 -32.98 69.7 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -59.9 -55.75 30.28 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.279 1.432 . . . . 0.0 110.169 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.12 62.22 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.079 0.237 . . . . 0.0 110.692 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.3 -43.86 61.77 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.965 1.306 . . . . 0.0 112.822 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.27 -50.57 65.24 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD22 HG13 ' A' ' 30' ' ' ILE . 5.9 mp -70.5 -25.26 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.289 -0.882 . . . . 0.0 112.375 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.55 -33.9 70.42 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.248 1.419 . . . . 0.0 111.935 175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -32.32 15.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.982 0.913 . . . . 0.0 112.628 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.89 18.27 79.56 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.236 0.922 . . . . 0.0 114.585 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.93 177.51 10.07 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.779 1.631 . . . . 0.0 112.499 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -34.13 58.5 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.59 78.57 2.39 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.568 1.947 . . . . 0.0 110.94 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.675 HD12 HD22 ' A' ' 80' ' ' LEU . 12.2 mt -61.53 158.58 14.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 112.692 -177.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.2 t -63.0 152.32 37.21 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.071 0.948 . . . . 0.0 110.708 175.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.8 -39.48 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.719 0.808 . . . . 0.0 112.219 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.86 -52.05 54.49 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.389 0.995 . . . . 0.0 113.748 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -70.43 -41.79 72.43 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.595 1.158 . . . . 0.0 111.986 177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -33.6 34.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.018 1.727 . . . . 0.0 112.665 178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -52.75 -59.78 4.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.786 1.634 . . . . 0.0 113.038 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttm -76.22 -36.8 58.41 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.184 0.594 . . . . 0.0 112.328 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD22 HD12 ' A' ' 72' ' ' LEU . 4.7 tp -54.12 -48.75 70.44 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 123.796 0.838 . . . . 0.0 111.688 176.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -51.84 -38.51 56.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.64 1.176 . . . . 0.0 112.569 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -70.16 -53.64 16.33 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.393 1.077 . . . . 0.0 110.91 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.23 69.47 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.15 -55.14 23.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.159 2.184 . . . . 0.0 110.144 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.3 t -60.43 -22.76 63.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.287 1.035 . . . . 0.0 112.817 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.7 mt -92.46 -32.35 14.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.094 1.758 . . . . 0.0 114.639 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 106' ' ' LEU . 12.2 tp -54.71 -61.25 2.43 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.133 1.373 . . . . 0.0 109.015 175.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -22.0 28.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-O 118.232 -0.89 . . . . 0.0 112.737 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -53.99 -55.25 28.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.322 1.449 . . . . 0.0 111.223 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -82.61 -39.9 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD21 ' CG1' ' A' ' 21' ' ' VAL . 80.4 mt -62.72 -19.5 63.98 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.1 t -44.54 -35.52 2.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 128.191 2.596 . . . . 0.0 113.222 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -70.41 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.636 1.574 . . . . 0.0 112.498 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.914 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.74 -19.59 62.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -45.16 48.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.69 1.196 . . . . 0.0 111.58 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 47.19 28.52 1.0 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.691 1.996 . . . . 0.0 114.386 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.81 -166.6 1.91 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.498 2.319 . . . . 0.0 111.676 -169.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -67.31 156.61 36.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.6 1.16 . . . . 0.0 111.467 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -53.86 -28.27 35.09 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.147 -0.97 . . . . 0.0 113.02 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -26.13 5.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.76 2.024 . . . . 0.0 112.75 174.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -59.87 4.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.679 1.127 . . . . 0.0 109.11 175.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.2 -43.07 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.505 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -56.03 -49.94 72.31 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.794 0.838 . . . . 0.0 111.297 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 m -74.83 -28.43 60.69 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.65 -25.79 29.1 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.738 1.608 . . . . 0.0 112.284 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.605 HD22 ' CE2' ' A' ' 110' ' ' PHE . 82.5 mt -53.84 -32.4 52.78 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.623 0.769 . . . . 0.0 111.746 175.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -66.06 -30.19 70.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.018 0.927 . . . . 0.0 113.159 174.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -90.09 -19.98 23.69 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.011 2.124 . . . . 0.0 113.308 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 25' ' ' LEU . 59.9 mt -85.87 -63.2 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.15 1.38 . . . . 0.0 109.626 174.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.605 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.5 m-85 -84.3 2.69 39.01 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.552 1.541 . . . . 0.0 113.398 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 54.47 56.03 7.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.169 2.588 . . . . 0.0 113.947 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt -90.63 -36.0 14.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.771 1.628 . . . . 0.0 112.405 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.507 3.123 . . . . 0.0 115.445 -171.067 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 p -86.81 51.51 2.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.271 2.229 . . . . 0.0 113.451 -174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -64.41 -23.74 67.39 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.801 1.24 . . . . 0.0 114.0 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 177.52 2.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.832 1.653 . . . . 0.0 112.452 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.58 -162.7 54.6 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 121.445 -0.784 . . . . 0.0 111.808 -171.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -110.03 -68.27 0.94 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 112.267 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.38 -38.96 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 123.447 0.699 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.35 -11.61 6.08 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.76 1.648 . . . . 0.0 114.967 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.99 -178.85 3.46 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.782 2.033 . . . . 0.0 111.43 176.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -107.59 -72.37 0.72 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.632 1.573 . . . . 0.0 111.426 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.36 -33.97 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.347 1.459 . . . . 0.0 112.494 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -59.24 111.13 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.767 1.227 . . . . 0.0 111.826 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -139.58 175.29 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.852 1.661 . . . . 0.0 112.69 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.0 p -115.2 175.71 5.39 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.991 2.116 . . . . 0.0 110.857 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -51.18 -27.12 8.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.527 1.131 . . . . 0.0 113.936 177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.02 -55.24 35.2 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.746 1.157 . . . . 0.0 113.171 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -42.62 80.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.128 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG11 ' HB3' ' A' ' 94' ' ' ALA . 61.6 t -55.21 -42.1 64.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 118.371 0.532 . . . . 0.0 110.164 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -31.06 68.0 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.476 -1.39 . . . . 0.0 112.709 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -76.82 -54.5 6.52 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.372 1.469 . . . . 0.0 113.035 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 91' ' ' LEU . 8.8 p -54.66 -37.67 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.337 1.055 . . . . 0.0 111.6 178.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -60.11 -30.56 69.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.262 0.625 . . . . 0.0 112.28 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 t -78.5 -29.75 46.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.216 1.406 . . . . 0.0 112.417 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.4 -53.12 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.302 1.041 . . . . 0.0 111.098 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -80.77 -9.77 59.78 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -54.86 -28.94 53.84 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 178.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -75.19 141.4 43.62 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.956 0.902 . . . . 0.0 112.877 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 -7.33 15.02 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -86.14 6.41 29.38 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.746 1.618 . . . . 0.0 113.252 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.453 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -73.02 -12.46 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.174 1.79 . . . . 0.0 113.667 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -48.05 104.16 0.05 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.885 2.074 . . . . 0.0 113.292 -171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG21 ' HG3' ' A' ' 40' ' ' ARG . 9.9 p -68.02 149.83 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.342 0.657 . . . . 0.0 112.079 -176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.39 151.84 46.28 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.037 0.935 . . . . 0.0 111.857 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.6 p -62.19 -46.64 88.04 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.8 m -60.71 -38.66 85.81 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.189 -0.945 . . . . 0.0 111.763 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -76.66 -28.25 55.9 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.896 0.879 . . . . 0.0 111.937 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' ' 66' ' ' LEU . 8.7 t-105 -57.0 -47.52 80.65 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.961 1.304 . . . . 0.0 112.77 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -51.22 -32.21 23.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.816 0.847 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -86.89 -44.47 11.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.706 1.602 . . . . 0.0 111.88 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.667 ' HG3' HG21 ' A' ' 32' ' ' VAL . 5.3 mmt180 -53.49 -33.44 54.33 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.02 1.728 . . . . 0.0 112.712 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.01 -41.19 64.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.913 0.885 . . . . 0.0 111.065 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -67.56 -56.22 10.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.881 1.672 . . . . 0.0 112.478 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.2 -51.18 67.38 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.368 0.531 . . . . 0.0 111.565 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB3' HG13 ' A' ' 59' ' ' VAL . 22.3 m-30 -61.57 -34.21 75.2 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.938 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -33.69 67.52 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.707 1.14 . . . . 0.0 112.236 175.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -78.68 -37.25 42.23 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.236 -0.915 . . . . 0.0 111.521 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -54.05 -23.65 14.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 59' ' ' VAL . 4.9 mm -67.47 -21.61 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.86 1.264 . . . . 0.0 112.506 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -119.99 -31.98 4.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.334 1.854 . . . . 0.0 112.348 -173.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.5 p -116.09 -26.55 7.22 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.142 1.377 . . . . 0.0 112.622 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.9 152.49 47.38 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 124.797 1.189 . . . . 0.0 111.487 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.3 178.43 6.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.982 -1.109 . . . . 0.0 112.594 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -47.76 -52.07 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.295 1.438 . . . . 0.0 113.31 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.26 -30.05 68.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.291 1.437 . . . . 0.0 111.941 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.2 mt-10 -84.74 -46.4 11.46 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 124.484 1.114 . . . . 0.0 113.297 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.4 mm -50.01 -49.43 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 120.167 1.348 . . . . 0.0 110.77 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.54 93.11 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -64.72 -30.48 71.5 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.484 -1.385 . . . . 0.0 114.257 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.76 HG11 HD11 ' A' ' 48' ' ' ILE . 81.8 t -65.78 -63.73 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.324 1.05 . . . . 0.0 110.111 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -58.11 -30.59 66.4 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.136 0.575 . . . . 0.0 112.548 -179.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -58.36 -55.97 28.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.193 1.797 . . . . 0.0 111.573 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -53.03 58.41 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.6 0.562 . . . . 0.0 110.234 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mt -52.76 -44.79 66.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.086 1.354 . . . . 0.0 113.441 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.439 ' CD2' HD11 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -61.67 -50.74 71.28 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.222 1.009 . . . . 0.0 113.355 176.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD12 HD11 ' A' ' 30' ' ' ILE . 45.0 mt -71.43 -28.8 64.24 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.658 -0.651 . . . . 0.0 112.713 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 37' ' ' TRP . 10.9 mt -59.41 -37.15 77.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.468 1.107 . . . . 0.0 111.256 174.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -76.23 -32.3 58.83 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.465 0.706 . . . . 0.0 112.234 174.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.71 11.61 69.32 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.513 1.054 . . . . 0.0 114.462 -173.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.73 176.37 12.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.849 1.659 . . . . 0.0 111.541 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -31.26 60.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.345 1.458 . . . . 0.0 114.223 177.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.12 84.5 6.91 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.834 1.254 . . . . 0.0 111.375 -176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -59.92 150.25 29.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -63.8 159.9 18.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.931 0.492 . . . . 0.0 110.965 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.91 -45.35 67.54 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.771 0.714 . . . . 0.0 112.106 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.77 -52.67 18.9 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-O 119.375 -0.681 . . . . 0.0 112.234 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.725 1.263 . . . . 0.0 112.673 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.17 -30.29 64.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.161 0.985 . . . . 0.0 112.423 175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.18 -51.58 69.12 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.646 1.178 . . . . 0.0 111.972 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 6.1 ttm -76.44 -41.47 47.37 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.645 HD22 HD22 ' A' ' 72' ' ' LEU . 4.1 tp -55.47 -46.65 76.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.549 0.74 . . . . 0.0 111.851 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -50.63 -40.16 52.35 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.752 1.221 . . . . 0.0 112.866 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.75 -49.6 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.117 0.967 . . . . 0.0 111.067 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.77 -29.44 69.42 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -63.89 -55.07 25.46 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.015 2.126 . . . . 0.0 110.903 174.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -59.78 -20.33 56.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.29 1.036 . . . . 0.0 112.634 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.38 -40.68 10.76 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.429 1.491 . . . . 0.0 112.944 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 106' ' ' LEU . 14.2 tp -48.46 -56.81 7.25 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.032 1.333 . . . . 0.0 110.973 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -15.69 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -69.38 -42.43 75.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.204 1.802 . . . . 0.0 112.467 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.3 -49.1 11.13 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.697 0.76 . . . . 0.0 109.731 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.675 HD22 HG13 ' A' ' 18' ' ' VAL . 94.8 mt -62.73 -19.25 63.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.021 1.728 . . . . 0.0 113.704 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.13 -34.39 1.8 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 128.127 2.571 . . . . 0.0 113.743 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -68.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.556 1.542 . . . . 0.0 112.478 177.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.71 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -70.66 -19.63 62.78 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -45.3 62.39 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.771 1.228 . . . . 0.0 111.671 174.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.5 t0 42.12 37.37 0.85 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 127.068 2.147 . . . . 0.0 113.675 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.03 -167.29 1.04 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.891 2.076 . . . . 0.0 111.815 -170.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 m -66.21 158.14 29.6 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.841 1.256 . . . . 0.0 111.524 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -55.3 -27.71 48.66 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.277 -0.889 . . . . 0.0 113.072 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.62 -25.48 10.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.811 1.644 . . . . 0.0 112.819 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -59.62 4.46 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.178 1.353 . . . . 0.0 108.976 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.38 -40.34 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.193 0.997 . . . . 0.0 111.784 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -56.88 -47.05 81.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.434 0.694 . . . . 0.0 111.405 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 m -74.69 -29.34 61.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.782 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -22.24 23.4 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.085 1.766 . . . . 0.0 112.922 175.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.657 HD22 ' CE2' ' A' ' 110' ' ' PHE . 84.7 mt -57.02 -37.98 72.49 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.796 -1.19 . . . . 0.0 111.767 174.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -24.95 66.77 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.638 0.654 . . . . 0.0 112.201 174.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -85.5 -26.65 26.12 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.677 1.591 . . . . 0.0 113.077 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 25' ' ' LEU . 36.2 mt -86.04 -67.7 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.135 1.374 . . . . 0.0 109.97 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.657 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.2 m-85 -78.79 -9.26 59.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.0 1.32 . . . . 0.0 113.09 -174.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t30 56.56 58.17 4.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.648 2.379 . . . . 0.0 114.036 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -34.8 44.04 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.457 1.103 . . . . 0.0 113.254 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.26 0 C-N-CA 127.163 2.185 . . . . 0.0 112.191 179.12 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.0 p -143.71 160.18 41.16 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.443 1.097 . . . . 0.0 112.055 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -140.65 9.24 2.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.812 1.645 . . . . 0.0 113.69 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.18 141.4 19.5 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.44 1.896 . . . . 0.0 111.182 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 128.93 -83.02 0.33 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.463 1.506 . . . . 0.0 112.772 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -126.53 154.95 43.14 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.497 1.919 . . . . 0.0 111.664 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.45 -34.07 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 125.19 1.396 . . . . 0.0 113.226 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.56 -38.69 1.82 Allowed Glycine 0 CA--C 1.535 1.309 0 C-N-CA 126.083 1.801 . . . . 0.0 113.827 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD11 HG12 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -81.58 -175.86 5.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.603 1.161 . . . . 0.0 112.233 174.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -111.62 -72.27 0.72 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.231 1.812 . . . . 0.0 112.243 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -35.33 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.471 1.508 . . . . 0.0 112.051 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.1 116.92 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.565 1.146 . . . . 0.0 112.049 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 53' ' ' VAL . 2.6 pp -147.98 168.52 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.125 1.77 . . . . 0.0 112.086 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 p -110.75 176.5 5.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.332 1.853 . . . . 0.0 111.427 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.48 -32.17 26.25 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.011 0.924 . . . . 0.0 112.961 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.6 -55.83 19.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.074 0.95 . . . . 0.0 112.59 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -64.16 -36.86 85.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.725 0.81 . . . . 0.0 111.512 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 94' ' ' ALA . 96.0 t -55.45 -49.34 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.089 0.955 . . . . 0.0 110.272 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -33.57 75.83 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.591 -0.693 . . . . 0.0 112.303 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.47 -55.65 9.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.687 1.195 . . . . 0.0 112.002 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 91' ' ' LEU . 13.4 p -56.53 -42.44 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 119.019 0.827 . . . . 0.0 111.532 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.1 m-85 -54.57 -36.94 64.9 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.057 0.844 . . . . 0.0 112.082 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -27.04 67.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.403 1.481 . . . . 0.0 114.061 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.21 -46.47 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.694 1.197 . . . . 0.0 110.45 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -83.21 -12.25 57.03 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 177.653 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -22.42 58.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.73 1.212 . . . . 0.0 114.053 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.03 121.81 28.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.856 0.862 . . . . 0.0 111.509 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.3 -9.83 58.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.173 0.989 . . . . 0.0 113.436 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.98 4.48 14.18 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.932 1.693 . . . . 0.0 114.0 -177.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 65' ' ' LEU . 2.5 pp -79.69 -10.79 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.538 1.935 . . . . 0.0 113.724 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -46.39 104.09 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.333 2.253 . . . . 0.0 113.235 -174.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.614 HG21 ' HG3' ' A' ' 40' ' ' ARG . 8.7 p -68.85 150.32 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.353 0.597 . . . . 0.0 112.539 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 147.67 49.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.729 1.212 . . . . 0.0 112.017 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -37.68 86.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.475 1.11 . . . . 0.0 113.667 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -66.72 -44.24 82.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.651 -0.656 . . . . 0.0 110.797 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 m -73.35 -26.54 61.06 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.494 1.118 . . . . 0.0 112.641 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -53.47 -53.2 54.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.827 1.251 . . . . 0.0 112.86 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -54.59 -28.96 50.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.87 -45.67 34.35 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.614 ' HG3' HG21 ' A' ' 32' ' ' VAL . 7.2 mmt180 -61.78 -30.81 71.05 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.44 1.496 . . . . 0.0 113.002 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -50.64 -39.14 49.7 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.044 0.938 . . . . 0.0 110.542 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -64.08 -63.31 1.19 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.508 1.523 . . . . 0.0 112.993 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.47 -50.51 59.69 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.567 0.622 . . . . 0.0 111.534 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.665 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.4 m-30 -59.77 -38.74 82.65 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.09 0.956 . . . . 0.0 112.726 177.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mtt -58.78 -30.2 67.39 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.921 1.237 . . . . 0.0 112.293 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.7 -32.82 31.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.344 -0.847 . . . . 0.0 111.946 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -59.1 -19.17 42.03 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.586 -0.696 . . . . 0.0 112.635 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.651 HD11 HG11 ' A' ' 59' ' ' VAL . 5.5 mm -71.16 -20.98 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.318 1.047 . . . . 0.0 112.481 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -32.04 4.27 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.507 1.523 . . . . 0.0 112.497 -177.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.2 p -110.94 -25.69 9.69 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.105 1.362 . . . . 0.0 112.577 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.02 146.59 32.33 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 124.863 1.22 . . . . 0.0 111.158 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -177.42 6.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.954 -1.123 . . . . 0.0 113.678 -177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 13' ' ' ILE . 6.0 p -47.32 -52.36 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.743 1.217 . . . . 0.0 113.352 174.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -60.63 -35.07 75.27 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.674 1.189 . . . . 0.0 111.663 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.1 mt-10 -78.47 -48.96 14.29 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.961 1.304 . . . . 0.0 112.016 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.16 -50.06 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.286 1.434 . . . . 0.0 111.27 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -63.61 -33.15 74.97 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -72.13 -33.45 67.79 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.913 -1.117 . . . . 0.0 112.342 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 44' ' ' TYR . 89.9 t -62.72 -65.95 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.93 1.292 . . . . 0.0 110.122 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.723 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -58.0 -32.52 67.98 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.83 -52.87 63.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 126.65 1.98 . . . . 0.0 111.191 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -51.47 61.21 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 123.693 0.62 . . . . 0.0 110.299 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.55 -47.15 80.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 175.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.9 m-85 -55.99 -46.49 78.68 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.982 -1.074 . . . . 0.0 113.211 175.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 30' ' ' ILE . 38.5 mt -74.79 -25.92 59.38 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.43 -34.81 69.34 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.88 1.272 . . . . 0.0 112.157 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -81.2 -32.14 33.62 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.013 0.925 . . . . 0.0 112.287 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.57 -4.7 83.83 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.944 1.735 . . . . 0.0 114.895 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.72 167.22 25.2 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.043 2.137 . . . . 0.0 111.18 -177.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -12.28 60.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.51 67.96 5.64 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.497 2.319 . . . . 0.0 111.562 177.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 80' ' ' LEU . 5.6 mp -60.56 151.12 29.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.82 1.248 . . . . 0.0 112.902 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -76.37 170.55 16.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.272 0.629 . . . . 0.0 110.83 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.0 -50.7 60.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.865 1.266 . . . . 0.0 112.727 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.62 -39.43 95.1 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 123.686 0.66 . . . . 0.0 113.753 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -72.87 -48.16 39.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.9 0.88 . . . . 0.0 110.435 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -52.52 -34.98 52.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.73 1.612 . . . . 0.0 112.938 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.48 -59.52 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.399 1.48 . . . . 0.0 113.081 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.42 -41.0 49.18 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.02 0.528 . . . . 0.0 111.778 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.746 HD22 HD22 ' A' ' 72' ' ' LEU . 8.0 tp -53.65 -45.93 70.38 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.913 0.885 . . . . 0.0 111.712 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -49.48 -41.57 40.89 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.898 1.679 . . . . 0.0 112.866 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 m -73.86 -50.05 22.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.06 0.944 . . . . 0.0 111.031 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.92 -30.64 71.03 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -54.84 31.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.587 2.355 . . . . 0.0 110.889 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -55.38 -24.37 29.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.482 1.513 . . . . 0.0 113.0 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.38 -38.85 11.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.4 1.08 . . . . 0.0 113.468 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.723 HD22 HD11 ' A' ' 60' ' ' LEU . 19.7 tp -48.35 -61.41 2.01 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.394 1.478 . . . . 0.0 110.454 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -19.08 25.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.691 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -46.74 86.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.133 1.773 . . . . 0.0 112.254 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.89 -48.6 12.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.72 0.772 . . . . 0.0 109.644 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 18' ' ' VAL . 93.1 mt -61.83 -20.26 63.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.303 1.841 . . . . 0.0 112.811 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.3 t -42.03 -38.18 1.57 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.579 2.751 . . . . 0.0 113.016 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -63.21 1.26 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.318 1.047 . . . . 0.0 111.903 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.639 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -71.45 -21.88 61.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -44.63 67.29 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.848 1.259 . . . . 0.0 111.881 175.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 42.81 35.39 0.71 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.806 2.042 . . . . 0.0 114.176 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.4 -165.99 0.93 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.403 2.281 . . . . 0.0 111.458 -169.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.43 159.66 29.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.389 1.075 . . . . 0.0 111.557 174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.31 -27.77 49.17 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.845 0.858 . . . . 0.0 112.991 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -26.74 12.76 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.178 1.791 . . . . 0.0 112.672 175.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 -59.53 4.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.907 1.231 . . . . 0.0 109.38 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.23 -43.09 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 123.782 0.833 . . . . 0.0 111.864 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -56.17 -45.81 79.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.567 0.747 . . . . 0.0 111.359 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -74.7 -34.28 62.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -55.37 -21.97 17.63 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.039 1.29 . . . . 0.0 112.941 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 87' ' ' LEU . 88.0 mt -52.82 -44.12 66.44 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 119.145 0.884 . . . . 0.0 112.228 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 112' ' ' LEU . 4.6 pttt -59.72 -31.85 69.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.721 0.809 . . . . 0.0 112.621 176.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -80.85 -30.22 35.69 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.302 1.841 . . . . 0.0 113.135 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.825 HG21 HD12 ' A' ' 25' ' ' LEU . 32.2 mt -80.98 -65.49 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 110.892 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' A' ' 106' ' ' LEU . 5.9 m-85 -73.76 -5.94 43.88 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.169 1.787 . . . . 0.0 112.893 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 55.64 60.58 3.24 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.438 2.295 . . . . 0.0 112.837 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 107' ' ' LYS . 1.6 mt -97.14 -67.8 0.83 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.851 1.261 . . . . 0.0 110.808 -171.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 129.239 3.016 . . . . 0.0 114.694 -177.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -139.63 104.8 5.01 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.745 1.618 . . . . 0.0 112.235 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -156.87 42.75 0.36 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.95 1.7 . . . . 0.0 112.93 -178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.2 mtp -64.21 100.61 0.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.196 0.998 . . . . 0.0 111.461 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.13 -169.38 15.66 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 127.615 2.531 . . . . 0.0 111.76 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -77.6 -75.17 0.22 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.479 1.111 . . . . 0.0 112.391 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.6 -33.34 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 121.517 -0.739 . . . . 0.0 112.281 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.52 -6.44 9.84 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.821 1.677 . . . . 0.0 115.202 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.34 -175.6 3.11 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.151 2.18 . . . . 0.0 111.161 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -116.25 -73.14 0.66 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.355 1.462 . . . . 0.0 111.993 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -156.09 -34.61 0.09 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.514 1.526 . . . . 0.0 112.249 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.86 115.45 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.892 1.277 . . . . 0.0 112.216 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.25 174.77 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.676 1.99 . . . . 0.0 112.132 -178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 p -111.99 177.17 4.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.945 1.698 . . . . 0.0 110.458 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.52 -22.58 8.44 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.088 1.355 . . . . 0.0 114.001 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -60.41 -54.2 48.42 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.826 1.25 . . . . 0.0 112.854 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -42.99 80.37 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.816 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD22 ' A' ' 91' ' ' LEU . 45.4 t -55.89 -29.78 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 123.752 0.658 . . . . 0.0 110.909 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -76.96 -49.87 14.5 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.29 -1.506 . . . . 0.0 111.126 175.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -58.94 -51.7 68.92 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.754 1.222 . . . . 0.0 112.341 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 91' ' ' LEU . 11.7 p -55.73 -46.54 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.963 1.305 . . . . 0.0 111.66 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 109' ' ' ILE . 4.5 m-85 -55.5 -38.66 69.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.218 0.917 . . . . 0.0 111.312 175.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -28.71 69.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.143 1.377 . . . . 0.0 114.082 175.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.97 -47.07 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.406 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -82.85 -13.56 55.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 178.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -58.04 -27.06 63.24 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.019 1.327 . . . . 0.0 114.201 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -82.03 121.58 26.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.052 1.341 . . . . 0.0 111.955 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.57 -5.34 59.14 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.31 6.32 12.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.673 1.989 . . . . 0.0 114.125 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 65' ' ' LEU . 2.6 pp -85.25 -8.14 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.066 2.146 . . . . 0.0 114.091 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 p -46.55 104.9 0.06 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.351 2.26 . . . . 0.0 113.968 -171.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.27 122.37 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.881 1.272 . . . . 0.0 111.269 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.25 137.77 58.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.505 1.522 . . . . 0.0 112.582 176.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -60.02 -30.66 69.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.944 1.297 . . . . 0.0 114.462 -174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -63.45 -46.42 86.34 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.791 1.236 . . . . 0.0 111.534 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.2 m -79.62 -24.81 41.68 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.286 1.035 . . . . 0.0 112.104 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -50.3 -45.59 54.72 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.559 1.072 . . . . 0.0 113.116 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -53.07 -32.47 47.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.108 0.963 . . . . 0.0 112.877 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -86.8 -41.75 13.84 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.435 1.894 . . . . 0.0 112.0 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -36.16 61.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.165 . . . . 0.0 112.06 175.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.09 -41.82 62.72 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.074 0.95 . . . . 0.0 111.09 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -65.5 -58.23 6.31 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.714 1.206 . . . . 0.0 112.736 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.48 -48.31 71.97 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.826 0.739 . . . . 0.0 111.114 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.614 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.6 m-30 -62.28 -37.93 87.39 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.104 0.961 . . . . 0.0 113.02 177.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.43 -35.11 65.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.75 1.159 . . . . 0.0 112.39 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.38 -39.01 48.75 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.318 -0.864 . . . . 0.0 111.546 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -53.87 -23.09 11.4 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.654 HD11 HG11 ' A' ' 59' ' ' VAL . 5.2 mm -68.65 -20.72 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.417 1.087 . . . . 0.0 112.71 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -120.09 -32.48 4.17 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.703 2.001 . . . . 0.0 112.428 -173.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 p -114.17 -28.91 7.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.083 1.353 . . . . 0.0 112.228 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.27 142.95 33.63 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 125.34 1.448 . . . . 0.0 111.589 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.45 177.4 9.01 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 113.04 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.15 -52.35 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.063 1.745 . . . . 0.0 113.508 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -59.95 -27.01 66.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.509 1.524 . . . . 0.0 112.888 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.69 -46.49 9.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.213 1.405 . . . . 0.0 111.811 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.9 mm -52.35 -47.54 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.186 1.394 . . . . 0.0 110.749 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -61.64 -36.56 81.14 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.5 -46.29 76.73 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.327 -0.858 . . . . 0.0 110.094 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 48' ' ' ILE . 89.7 t -51.05 -63.8 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.581 1.152 . . . . 0.0 110.986 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -177.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -62.15 -48.91 78.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.579 1.952 . . . . 0.0 111.373 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -52.86 -51.75 59.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.25 0.62 . . . . 0.0 109.942 175.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.86 -41.36 97.74 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.68 -50.53 73.49 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.946 0.794 . . . . 0.0 112.501 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 30' ' ' ILE . 38.9 mt -74.44 -19.33 60.44 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -35.24 72.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.902 1.281 . . . . 0.0 111.899 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 -28.83 14.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.665 1.186 . . . . 0.0 111.991 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.67 17.8 74.62 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.093 1.33 . . . . 0.0 113.997 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -151.42 179.31 8.45 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.606 1.962 . . . . 0.0 111.664 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -8.86 33.62 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.523 1.529 . . . . 0.0 114.383 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -94.99 57.08 2.04 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.41 1.884 . . . . 0.0 110.669 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.576 HD12 HD22 ' A' ' 80' ' ' LEU . 16.2 mt -56.74 140.65 46.83 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.981 0.912 . . . . 0.0 111.437 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -65.24 166.1 10.4 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.888 0.475 . . . . 0.0 110.946 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -48.44 -46.47 37.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.054 0.942 . . . . 0.0 112.575 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.53 -52.57 49.37 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.038 0.827 . . . . 0.0 113.624 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -68.0 -41.12 82.76 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.952 1.376 . . . . 0.0 112.056 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -56.82 -33.91 67.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.44 1.496 . . . . 0.0 113.101 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -50.71 -59.54 3.97 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.024 1.33 . . . . 0.0 112.78 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttm -76.42 -38.54 55.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.101 0.56 . . . . 0.0 112.084 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD22 HD12 ' A' ' 72' ' ' LEU . 4.0 tp -54.46 -46.77 73.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.641 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -50.75 -39.8 53.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.046 1.338 . . . . 0.0 112.679 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -50.57 26.78 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.522 1.129 . . . . 0.0 111.256 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.04 69.77 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.415 HH11 HD21 ' A' ' 80' ' ' LEU . 13.5 mmm-85 -65.02 -54.8 24.67 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.347 2.259 . . . . 0.0 110.898 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t -58.25 -21.81 49.91 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.649 1.18 . . . . 0.0 112.603 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -92.27 -42.12 10.02 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.547 1.539 . . . . 0.0 112.967 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 106' ' ' LEU . 14.8 tp -46.74 -58.96 3.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.477 1.511 . . . . 0.0 110.23 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -19.51 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -61.57 -46.04 91.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.927 1.691 . . . . 0.0 112.044 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.7 -48.97 11.8 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.948 0.88 . . . . 0.0 109.597 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 21' ' ' VAL . 86.5 mt -62.39 -18.52 61.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.08 1.752 . . . . 0.0 113.11 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -43.36 -37.96 2.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 128.243 2.617 . . . . 0.0 113.398 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -61.41 2.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.11 1.364 . . . . 0.0 111.803 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.62 -24.63 58.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -43.98 50.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.58 1.152 . . . . 0.0 111.42 176.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.29 33.29 0.82 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.23 2.212 . . . . 0.0 113.78 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.47 -166.36 1.09 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.556 2.342 . . . . 0.0 111.381 -168.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.2 m -67.29 159.8 28.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.442 1.097 . . . . 0.0 111.723 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.11 -27.89 48.53 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.305 -0.872 . . . . 0.0 113.032 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.68 -27.9 13.07 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.465 175.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.75 -57.14 11.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 120.462 1.483 . . . . 0.0 109.924 175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mt -81.25 -42.0 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.734 0.814 . . . . 0.0 111.687 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -57.03 -46.49 82.34 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.459 0.704 . . . . 0.0 111.682 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -32.82 62.32 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.95 -19.0 15.61 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.18 1.355 . . . . 0.0 113.032 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.613 HD22 ' CE2' ' A' ' 110' ' ' PHE . 83.7 mt -55.34 -36.69 66.56 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.383 0.992 . . . . 0.0 111.301 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -64.19 -25.42 68.07 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 0.0 112.731 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -91.22 -16.02 28.33 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.779 2.031 . . . . 0.0 113.191 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 25' ' ' LEU . 13.6 mt -95.59 -67.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.636 1.174 . . . . 0.0 110.831 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.6 m-85 -77.58 -14.21 59.71 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.485 1.114 . . . . 0.0 112.727 -176.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 62.2 80.07 0.24 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 128.357 2.663 . . . . 0.0 114.257 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.98 -64.54 1.25 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.931 1.292 . . . . 0.0 112.91 -173.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.867 2.067 . . . . 0.0 114.559 177.045 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 CA-C-O 119.563 -0.576 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -107.27 -47.68 3.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.579 1.152 . . . . 0.0 111.746 -176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -62.57 -27.21 69.02 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.838 1.255 . . . . 0.0 113.134 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -45.61 93.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.428 1.891 . . . . 0.0 112.431 175.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.03 -121.98 6.64 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.687 1.613 . . . . 0.0 112.496 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -110.63 168.77 9.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.116 1.766 . . . . 0.0 112.077 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 t -75.83 -30.6 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.826 0.851 . . . . 0.0 112.883 178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.61 -13.63 7.3 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.967 1.746 . . . . 0.0 114.674 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.18 -176.14 2.88 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.049 2.14 . . . . 0.0 111.429 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -111.91 -71.39 0.76 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.618 1.567 . . . . 0.0 111.301 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -159.68 -37.12 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.217 1.407 . . . . 0.0 112.058 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.43 116.38 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.729 1.212 . . . . 0.0 112.219 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 53' ' ' VAL . 2.8 pp -144.93 177.28 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 126.056 1.743 . . . . 0.0 112.095 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.1 p -114.95 177.27 4.71 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.687 1.995 . . . . 0.0 111.128 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.43 -29.74 6.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.294 1.038 . . . . 0.0 113.708 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.15 -56.3 21.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.981 1.313 . . . . 0.0 113.108 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -57.54 -42.89 83.82 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 117.915 -1.041 . . . . 0.0 109.879 174.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.775 HG13 HD22 ' A' ' 91' ' ' LEU . 47.2 t -55.36 -28.63 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.814 0.696 . . . . 0.0 110.936 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.41 -48.66 16.66 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.274 -1.516 . . . . 0.0 111.665 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -62.53 -52.66 62.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.142 0.977 . . . . 0.0 112.594 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.791 HG11 HD21 ' A' ' 91' ' ' LEU . 12.9 p -52.98 -40.61 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.099 0.96 . . . . 0.0 111.761 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.9 m-85 -60.96 -33.2 72.83 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.375 0.67 . . . . 0.0 112.254 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 t -74.35 -29.62 61.65 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.414 1.085 . . . . 0.0 112.583 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.63 -53.01 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.962 -1.086 . . . . 0.0 111.455 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -81.36 -9.21 59.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.251 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -26.25 50.9 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.0 147.72 49.76 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.984 0.914 . . . . 0.0 112.62 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' HD21 ' A' ' 65' ' ' LEU . 10.9 mmmm -112.45 -5.9 14.04 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.037 1.335 . . . . 0.0 114.353 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -92.73 10.82 29.13 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.265 1.426 . . . . 0.0 112.97 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.722 HG13 HD22 ' A' ' 65' ' ' LEU . 2.3 pp -75.12 -10.05 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.742 1.617 . . . . 0.0 112.943 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -42.45 104.22 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.841 2.456 . . . . 0.0 112.679 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG21 ' HG3' ' A' ' 40' ' ' ARG . 13.7 p -71.29 151.3 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.517 0.727 . . . . 0.0 111.569 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.42 145.16 56.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.046 0.938 . . . . 0.0 111.754 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 p -66.32 -41.74 89.23 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.956 1.302 . . . . 0.0 113.872 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.9 m -65.57 -42.83 91.33 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.279 -0.888 . . . . 0.0 111.268 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -75.49 -25.0 56.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.833 0.853 . . . . 0.0 112.449 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CE3' HD11 ' A' ' 66' ' ' LEU . 6.8 t-105 -51.46 -50.89 58.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.884 1.22 . . . . 0.0 112.264 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.12 -31.27 51.77 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -78.69 -46.02 20.02 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.158 1.383 . . . . 0.0 111.23 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HG3' HG21 ' A' ' 32' ' ' VAL . 1.2 mmp_? -58.34 -29.03 65.63 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.553 1.141 . . . . 0.0 112.366 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -51.68 -38.82 56.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.86 0.864 . . . . 0.0 110.463 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -65.34 -62.02 1.78 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.052 1.741 . . . . 0.0 112.469 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -50.5 -52.05 41.81 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.451 0.7 . . . . 0.0 111.204 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.668 ' HB3' HG13 ' A' ' 59' ' ' VAL . 21.8 m-30 -60.72 -38.42 85.03 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.092 -0.956 . . . . 0.0 113.089 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.3 mtt -58.14 -29.46 65.57 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.048 1.294 . . . . 0.0 112.478 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -77.98 -42.24 33.45 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.189 0.995 . . . . 0.0 110.616 175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -15.99 4.43 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.676 HD11 HG11 ' A' ' 59' ' ' VAL . 6.7 mm -72.08 -26.47 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.721 1.208 . . . . 0.0 112.628 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 -27.77 5.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.172 1.389 . . . . 0.0 113.358 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.7 p -106.78 -28.81 9.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.827 1.251 . . . . 0.0 111.854 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.2 154.41 51.83 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-O 122.377 0.987 . . . . 0.0 111.632 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 178.96 5.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.906 -1.147 . . . . 0.0 112.55 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 HG11 HG21 ' A' ' 13' ' ' ILE . 2.7 p -48.64 -48.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.856 1.262 . . . . 0.0 113.278 175.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -63.62 -28.96 70.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.032 1.333 . . . . 0.0 112.291 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.5 mt-10 -82.97 -49.08 9.97 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 124.61 1.164 . . . . 0.0 112.126 178.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.8 mm -49.59 -52.68 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.744 1.618 . . . . 0.0 112.211 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.68 77.57 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -67.76 -31.07 70.71 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.556 -1.34 . . . . 0.0 113.28 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.676 HG11 HD11 ' A' ' 48' ' ' ILE . 93.6 t -66.34 -65.3 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 123.961 0.904 . . . . 0.0 109.613 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD11 HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.27 -30.58 62.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.47 -57.21 13.93 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 126.121 1.768 . . . . 0.0 110.421 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -49.04 68.11 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.275 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.19 -38.41 70.92 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' A' ' 80' ' ' LEU . 2.4 m-85 -70.24 -50.53 38.84 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 176.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.722 HD22 HG13 ' A' ' 30' ' ' ILE . 4.8 mp -69.02 -22.78 64.04 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.545 -0.722 . . . . 0.0 112.846 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.428 HD11 ' CE3' ' A' ' 37' ' ' TRP . 1.7 mt -55.81 -29.99 60.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.459 1.504 . . . . 0.0 113.053 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -25.83 13.64 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.055 1.342 . . . . 0.0 113.362 176.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.64 14.31 82.18 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.747 1.165 . . . . 0.0 114.47 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.71 166.63 30.14 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.196 1.798 . . . . 0.0 111.235 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -28.29 69.66 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 177.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.73 71.3 4.21 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.642 1.977 . . . . 0.0 111.405 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.891 HD12 HD22 ' A' ' 80' ' ' LEU . 31.0 mt -71.55 150.51 44.69 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.226 -0.922 . . . . 0.0 112.164 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.7 m -64.15 153.7 36.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.049 0.54 . . . . 0.0 110.002 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -51.22 -41.76 60.51 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.27 0.628 . . . . 0.0 112.294 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.14 52.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.171 0.891 . . . . 0.0 113.465 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.77 -44.79 76.62 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.029 1.415 . . . . 0.0 111.328 175.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.57 -34.91 27.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.726 1.21 . . . . 0.0 112.995 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -59.54 4.28 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.675 1.59 . . . . 0.0 112.844 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.0 ttm -76.36 -36.8 57.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.236 0.471 . . . . 0.0 112.092 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.891 HD22 HD12 ' A' ' 72' ' ' LEU . 5.3 tp -52.19 -48.48 64.99 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.936 0.894 . . . . 0.0 111.025 175.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.23 -33.73 54.11 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.498 1.045 . . . . 0.0 112.821 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.71 -52.54 10.25 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.377 1.071 . . . . 0.0 110.927 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.07 71.3 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.41 -55.85 23.82 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.444 2.298 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.59 -19.44 57.65 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.638 0.775 . . . . 0.0 112.775 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.1 mt -92.23 -38.96 11.8 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.377 1.471 . . . . 0.0 112.683 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 106' ' ' LEU . 14.9 tp -50.23 -57.43 7.82 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.839 1.256 . . . . 0.0 110.715 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -14.22 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -44.56 79.61 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.305 1.842 . . . . 0.0 112.225 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.3 -48.83 10.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.869 0.843 . . . . 0.0 110.051 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 21' ' ' VAL . 89.6 mt -62.19 -19.7 63.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 113.097 177.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -34.85 1.84 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.82 2.448 . . . . 0.0 113.672 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -67.29 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.235 1.414 . . . . 0.0 111.806 176.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.662 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -69.25 -22.36 63.84 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -46.45 60.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.474 1.109 . . . . 0.0 111.116 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.9 t70 46.46 30.59 1.11 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.857 1.663 . . . . 0.0 114.146 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.81 -167.07 1.43 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.077 2.151 . . . . 0.0 111.955 -169.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.3 m -63.04 156.2 25.47 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.365 1.066 . . . . 0.0 111.379 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -55.53 -27.37 48.46 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.321 -0.862 . . . . 0.0 112.907 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -53.47 -23.5 10.36 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.409 1.484 . . . . 0.0 112.774 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.55 -59.89 4.5 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.106 1.321 . . . . 0.0 109.709 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mt -77.83 -40.5 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.82 0.848 . . . . 0.0 111.775 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -56.51 -46.84 80.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.685 0.794 . . . . 0.0 111.429 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.1 m -74.56 -33.09 62.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.946 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.77 -25.24 18.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.863 1.665 . . . . 0.0 112.786 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.713 HD21 HD21 ' A' ' 87' ' ' LEU . 85.3 mt -55.77 -32.25 63.3 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.494 -0.754 . . . . 0.0 111.622 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -61.92 -29.83 70.48 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.136 0.974 . . . . 0.0 113.605 176.76 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.66 -29.19 18.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.762 2.025 . . . . 0.0 112.103 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 25' ' ' LEU . 64.9 mt -75.75 -63.87 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.318 1.447 . . . . 0.0 110.496 177.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.703 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.21 5.13 35.63 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.343 1.857 . . . . 0.0 112.884 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.5 t30 54.48 47.07 23.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.313 2.245 . . . . 0.0 113.691 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mt -84.18 -27.23 28.21 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.272 1.429 . . . . 0.0 111.975 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.498 ' HB2' ' HG3' ' A' ' 107' ' ' LYS . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.375 1.87 . . . . 0.0 112.821 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -128.38 114.14 16.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.227 1.411 . . . . 0.0 111.016 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -117.4 134.63 54.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.124 1.77 . . . . 0.0 111.098 177.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.9 mtm -145.89 137.67 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.987 2.115 . . . . 0.0 110.432 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.13 -97.09 0.15 Allowed Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.111 1.338 . . . . 0.0 112.274 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -81.8 168.0 18.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.762 1.225 . . . . 0.0 112.617 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 t -63.08 -40.61 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.991 1.316 . . . . 0.0 112.29 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.36 -21.8 3.81 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.962 1.744 . . . . 0.0 114.446 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.11 -175.36 3.0 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.765 1.626 . . . . 0.0 111.085 174.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -87.22 0.64 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.435 1.894 . . . . 0.0 109.14 175.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -137.73 -31.52 0.78 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.347 1.459 . . . . 0.0 113.168 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tp -61.28 107.81 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.561 1.545 . . . . 0.0 112.381 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.01 175.44 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.306 1.842 . . . . 0.0 112.4 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.6 p -115.81 179.29 4.02 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.54 2.336 . . . . 0.0 111.009 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.49 -25.83 7.25 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -56.86 -56.23 24.32 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.74 1.155 . . . . 0.0 112.999 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.36 89.42 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 117.681 -1.152 . . . . 0.0 110.224 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.777 HG11 ' HB3' ' A' ' 94' ' ' ALA . 57.1 t -55.92 -31.64 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 119.179 0.9 . . . . 0.0 111.768 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -42.94 37.03 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.328 -1.483 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.45 -52.51 52.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.092 0.957 . . . . 0.0 112.782 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.66 HG11 HD21 ' A' ' 91' ' ' LEU . 9.7 p -52.81 -42.94 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.495 1.518 . . . . 0.0 111.889 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -57.23 -44.06 83.44 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.902 0.774 . . . . 0.0 111.628 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -60.3 -23.7 64.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.306 1.442 . . . . 0.0 113.89 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.22 -47.23 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.575 1.15 . . . . 0.0 110.455 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -85.51 -15.9 41.29 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 178.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -56.11 -24.94 43.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 114.144 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.56 121.74 28.05 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.041 1.336 . . . . 0.0 112.344 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -81.83 -0.68 44.54 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.266 1.426 . . . . 0.0 114.18 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -87.75 17.89 4.44 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.656 1.983 . . . . 0.0 113.422 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.492 HD11 HD13 ' A' ' 65' ' ' LEU . 2.6 pp -101.04 -4.43 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.807 2.043 . . . . 0.0 112.822 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 p -46.6 104.16 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.218 2.207 . . . . 0.0 112.825 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -66.46 129.86 31.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.581 1.152 . . . . 0.0 109.868 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.06 140.95 58.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.758 0.823 . . . . 0.0 111.97 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 p -59.89 -34.98 73.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.216 1.407 . . . . 0.0 114.627 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.5 m -61.74 -43.94 97.87 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.523 -0.736 . . . . 0.0 111.06 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.3 m -81.66 -23.72 36.74 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.458 1.103 . . . . 0.0 112.56 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -51.43 -45.04 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.751 1.22 . . . . 0.0 112.826 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -51.85 -33.88 38.23 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.149 0.98 . . . . 0.0 112.873 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -86.87 -40.28 15.03 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.269 1.828 . . . . 0.0 112.512 175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -35.9 60.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.29 1.036 . . . . 0.0 112.117 175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -52.41 -42.32 63.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.046 0.939 . . . . 0.0 110.958 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -63.98 -58.84 5.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.603 1.561 . . . . 0.0 112.683 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.06 -50.49 66.63 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.365 0.53 . . . . 0.0 110.764 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.658 ' HB3' HG13 ' A' ' 59' ' ' VAL . 19.7 m-30 -59.81 -37.48 79.3 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.997 0.919 . . . . 0.0 113.157 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mtt -57.91 -31.69 67.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.737 1.153 . . . . 0.0 112.359 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -80.92 -34.98 32.98 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.274 -0.892 . . . . 0.0 111.512 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -15.65 29.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.284 -0.885 . . . . 0.0 113.064 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -72.31 -25.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.627 1.103 . . . . 0.0 112.619 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.01 -26.42 5.16 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.502 1.521 . . . . 0.0 114.024 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -28.79 8.66 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.034 1.333 . . . . 0.0 112.112 -178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 141.39 31.02 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 124.812 1.196 . . . . 0.0 110.815 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.46 176.43 8.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.16 -1.02 . . . . 0.0 112.105 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 p -49.36 -49.9 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.707 1.603 . . . . 0.0 112.225 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -58.59 -26.77 63.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.761 1.224 . . . . 0.0 112.842 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -86.74 -46.02 10.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.922 1.289 . . . . 0.0 113.3 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -50.75 -48.89 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 121.071 1.759 . . . . 0.0 111.367 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.544 ' HB1' ' CD2' ' A' ' 25' ' ' LEU . . . -60.6 -38.5 84.9 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 176.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -64.31 -45.88 86.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.756 0.707 . . . . 0.0 110.624 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 48' ' ' ILE . 76.9 t -52.52 -64.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.685 1.194 . . . . 0.0 111.36 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.86 -35.21 68.62 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -60.48 -54.34 46.71 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.391 1.477 . . . . 0.0 109.803 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.49 -52.65 36.33 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.154 0.581 . . . . 0.0 110.159 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.68 -39.62 71.23 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 175.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.25 -50.59 63.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.926 -1.109 . . . . 0.0 113.517 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 30' ' ' ILE . 6.7 mp -68.62 -27.06 65.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.093 0.86 . . . . 0.0 112.689 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.58 -31.48 68.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.183 1.393 . . . . 0.0 113.116 175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 -30.4 10.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.577 1.551 . . . . 0.0 112.429 177.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.73 21.57 69.3 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.527 1.06 . . . . 0.0 114.27 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.93 163.95 31.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.749 1.62 . . . . 0.0 110.983 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -71.19 -37.17 72.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.188 0.995 . . . . 0.0 112.854 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.46 81.0 5.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.205 1.402 . . . . 0.0 109.989 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 80' ' ' LEU . 33.4 mt -62.96 162.27 11.59 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.115 0.566 . . . . 0.0 111.61 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 m -59.91 147.26 39.26 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.666 -0.646 . . . . 0.0 110.494 174.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -49.59 -43.55 46.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.991 0.917 . . . . 0.0 112.037 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -42.11 99.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.404 1.002 . . . . 0.0 114.515 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.69 -44.92 65.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.545 1.173 . . . . 0.0 111.035 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -51.76 -31.19 25.72 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.241 1.417 . . . . 0.0 112.825 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -53.72 -59.52 4.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.782 1.633 . . . . 0.0 112.521 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttm -76.15 -35.32 59.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.897 0.879 . . . . 0.0 111.895 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.73 HD22 HD12 ' A' ' 72' ' ' LEU . 4.1 tp -55.32 -47.62 75.38 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.959 -0.543 . . . . 0.0 111.446 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -53.49 -34.19 57.13 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.209 0.913 . . . . 0.0 112.359 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -72.73 -54.42 9.0 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.925 1.29 . . . . 0.0 110.54 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.2 69.46 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 80' ' ' LEU . 14.8 mmm-85 -61.5 -49.44 76.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.556 1.942 . . . . 0.0 111.371 174.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.5 p -63.02 -22.74 67.06 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.25 -35.94 13.51 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.034 2.134 . . . . 0.0 113.546 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD21 HD21 ' A' ' 106' ' ' LEU . 21.4 tp -50.44 -58.1 6.51 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.78 1.632 . . . . 0.0 109.778 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -20.17 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.831 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -55.93 26.13 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.152 1.381 . . . . 0.0 112.116 -177.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.06 -46.52 77.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.886 1.274 . . . . 0.0 111.27 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.66 HD21 HG11 ' A' ' 21' ' ' VAL . 88.9 mt -69.0 -18.08 64.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.5 t -47.11 -31.76 3.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.724 2.409 . . . . 0.0 113.192 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -70.19 0.12 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.199 1.4 . . . . 0.0 112.578 176.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.777 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -74.69 -17.58 60.65 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -48.79 -46.83 42.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.166 1.386 . . . . 0.0 111.529 175.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 t70 48.55 28.13 1.66 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 126.572 1.949 . . . . 0.0 114.194 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.48 -166.97 1.91 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 111.902 -169.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -69.04 159.97 31.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.722 1.209 . . . . 0.0 112.051 174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -56.46 -27.59 57.31 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.034 -1.041 . . . . 0.0 112.976 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -23.99 16.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.975 1.31 . . . . 0.0 112.302 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -59.81 4.46 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 120.414 1.461 . . . . 0.0 109.039 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 mt -77.9 -41.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.399 1.08 . . . . 0.0 111.934 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.8 -46.35 87.78 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.818 0.847 . . . . 0.0 111.779 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -74.8 -32.18 61.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.693 0.797 . . . . 0.0 112.56 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -25.83 12.14 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.107 1.322 . . . . 0.0 113.033 176.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 62.2 mt -52.75 -41.31 63.9 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.984 -1.073 . . . . 0.0 113.332 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -65.73 -22.55 66.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -29.6 17.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.887 2.475 . . . . 0.0 112.187 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.746 HG21 HD12 ' A' ' 25' ' ' LEU . 16.4 mt -83.78 -66.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.69 1.196 . . . . 0.0 111.038 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 4.1 m-85 -76.81 -14.27 59.93 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 -176.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 60.01 71.66 0.56 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.757 2.423 . . . . 0.0 113.349 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -71.63 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.608 1.163 . . . . 0.0 111.531 -178.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 128.084 2.554 . . . . 0.0 115.755 -176.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -142.5 46.21 1.6 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.686 1.594 . . . . 0.0 112.5 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -88.06 134.1 33.82 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.814 1.246 . . . . 0.0 111.65 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 mtt -121.49 153.14 38.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.401 1.881 . . . . 0.0 110.741 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.23 -94.89 0.1 OUTLIER Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.425 1.012 . . . . 0.0 111.353 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -145.0 -73.22 0.25 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.8 1.24 . . . . 0.0 112.171 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 t -87.99 -37.47 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 118.984 0.811 . . . . 0.0 112.703 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.88 -8.78 6.08 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.5 1.524 . . . . 0.0 114.947 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.07 177.22 6.49 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.692 1.997 . . . . 0.0 111.585 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -109.09 -61.2 1.65 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.203 1.801 . . . . 0.0 112.085 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -166.22 -29.78 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.42 1.088 . . . . 0.0 112.639 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 tp -57.2 106.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.748 1.619 . . . . 0.0 112.76 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 HG11 ' A' ' 53' ' ' VAL . 2.7 pp -142.81 177.75 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 112.618 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.0 p -118.83 178.23 4.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.535 1.934 . . . . 0.0 110.413 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 1.6 tm-20 -50.96 -29.38 12.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.154 0.982 . . . . 0.0 113.534 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.33 -54.5 46.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.37 1.068 . . . . 0.0 112.721 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.81 -33.49 76.11 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.674 1.19 . . . . 0.0 111.594 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.745 HG11 ' HB3' ' A' ' 94' ' ' ALA . 85.8 t -60.39 -34.49 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.77 0.714 . . . . 0.0 111.262 174.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.99 -31.33 64.44 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.249 -1.532 . . . . 0.0 112.736 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -75.44 -52.42 10.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.106 0.962 . . . . 0.0 112.528 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 91' ' ' LEU . 14.9 p -52.79 -39.77 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.43 1.092 . . . . 0.0 112.289 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 25' ' ' LEU . 3.6 m-85 -60.47 -27.51 67.61 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.39 -24.08 39.96 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.324 1.45 . . . . 0.0 113.452 174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.61 -53.11 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.64 1.176 . . . . 0.0 110.594 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -79.19 -10.18 59.75 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.682 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -26.15 59.79 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.84 146.83 45.97 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.268 1.027 . . . . 0.0 112.725 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HA ' HD21 ' A' ' 65' ' ' LEU . 5.5 mmmt -109.8 -5.72 15.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.012 1.325 . . . . 0.0 114.137 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -93.05 6.24 48.63 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.479 1.912 . . . . 0.0 113.024 -177.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.71 HG13 HD22 ' A' ' 65' ' ' LEU . 2.4 pp -73.74 -9.43 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.783 2.033 . . . . 0.0 113.597 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -48.49 106.83 0.11 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.72 2.008 . . . . 0.0 113.072 -172.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.09 135.09 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.766 0.827 . . . . 0.0 110.6 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.28 143.62 52.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.043 1.337 . . . . 0.0 112.22 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 m -60.11 -42.5 94.84 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.5 m -59.79 -40.17 87.39 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.379 -0.826 . . . . 0.0 111.501 176.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -81.6 -26.14 35.15 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.576 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -56.11 -48.03 76.95 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.373 1.469 . . . . 0.0 112.276 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -52.33 -34.46 47.27 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.651 0.781 . . . . 0.0 112.166 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -82.09 -41.7 20.19 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.37 1.868 . . . . 0.0 111.573 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -32.08 64.6 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.512 1.525 . . . . 0.0 113.026 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.6 -42.09 67.3 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.602 0.761 . . . . 0.0 111.079 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -65.49 -58.03 6.82 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.458 1.503 . . . . 0.0 112.442 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -52.62 -52.04 57.29 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.577 0.626 . . . . 0.0 111.133 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.647 ' HB3' HG13 ' A' ' 59' ' ' VAL . 20.1 m-30 -59.46 -37.42 78.11 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.382 -0.818 . . . . 0.0 113.192 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -30.89 67.27 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.479 1.036 . . . . 0.0 112.849 174.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.35 -41.22 28.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.199 1.0 . . . . 0.0 111.032 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -54.24 -18.46 3.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 176.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.655 HD11 HG11 ' A' ' 59' ' ' VAL . 6.9 mm -69.1 -26.88 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.845 1.258 . . . . 0.0 112.574 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -28.5 4.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.327 1.451 . . . . 0.0 113.362 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -107.05 -24.57 11.93 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.448 1.099 . . . . 0.0 112.366 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.72 157.51 50.59 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 124.197 0.903 . . . . 0.0 111.867 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.32 177.68 6.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.139 -1.03 . . . . 0.0 112.484 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 13' ' ' ILE . 2.5 p -53.16 -46.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.302 1.041 . . . . 0.0 111.626 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.53 -38.31 89.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.982 0.913 . . . . 0.0 110.58 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.7 mt-10 -72.92 -49.32 30.29 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.2 mm -48.2 -50.35 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.928 1.694 . . . . 0.0 111.685 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.45 96.18 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -63.46 -40.87 98.27 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.092 -1.005 . . . . 0.0 111.996 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 48' ' ' ILE . 86.0 t -56.3 -63.38 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 124.526 1.13 . . . . 0.0 110.454 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 179.261 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -61.07 -54.46 44.42 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.834 1.654 . . . . 0.0 110.339 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -49.75 -53.41 25.13 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.94 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.21 -41.01 83.09 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -50.6 68.23 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.189 -0.945 . . . . 0.0 113.024 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD22 HG13 ' A' ' 30' ' ' ILE . 5.7 mp -70.67 -27.14 63.8 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.45 -36.28 71.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.461 1.104 . . . . 0.0 111.797 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -32.3 24.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.8 0.84 . . . . 0.0 111.942 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.65 19.63 79.25 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.771 1.176 . . . . 0.0 114.366 -175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.58 169.5 23.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.088 1.355 . . . . 0.0 111.864 -178.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -69.29 -40.27 77.82 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.661 1.184 . . . . 0.0 113.349 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.54 87.66 6.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.551 1.541 . . . . 0.0 110.894 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.805 HD12 HD22 ' A' ' 80' ' ' LEU . 14.9 mt -70.94 161.8 30.44 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.243 0.544 . . . . 0.0 112.069 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.8 m -64.64 151.44 44.82 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.773 0.429 . . . . 0.0 110.218 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -51.77 -39.79 59.21 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.562 0.745 . . . . 0.0 111.998 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.11 -52.78 50.73 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 123.941 0.782 . . . . 0.0 112.999 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.97 -40.12 90.98 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.659 1.23 . . . . 0.0 112.006 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -51.2 -31.56 20.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.775 1.23 . . . . 0.0 112.613 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -55.69 -58.95 5.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.672 1.589 . . . . 0.0 112.77 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 ttm -76.35 -38.71 55.46 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.628 0.771 . . . . 0.0 112.594 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.805 HD22 HD12 ' A' ' 72' ' ' LEU . 3.8 tp -54.69 -47.54 73.54 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.557 0.743 . . . . 0.0 111.595 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.52 -38.78 21.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.13 1.372 . . . . 0.0 112.766 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -54.38 9.14 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 124.455 1.102 . . . . 0.0 110.921 175.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.24 64.63 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.428 HH11 HD21 ' A' ' 80' ' ' LEU . 16.9 mmm-85 -64.04 -54.52 32.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 127.126 2.17 . . . . 0.0 111.084 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -60.82 -22.56 64.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.314 1.046 . . . . 0.0 112.676 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -92.41 -35.1 13.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.228 1.411 . . . . 0.0 113.291 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD21 HD21 ' A' ' 106' ' ' LEU . 12.6 tp -52.4 -58.04 7.96 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.826 1.651 . . . . 0.0 110.067 176.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -21.99 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.586 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -63.53 -53.57 49.83 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.154 1.382 . . . . 0.0 112.362 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 53' ' ' VAL . 3.5 pt-20 -66.4 -46.14 77.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.915 0.886 . . . . 0.0 111.569 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 21' ' ' VAL . 88.0 mt -69.09 -18.05 63.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 113.658 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.2 t -46.33 -33.86 4.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.959 2.504 . . . . 0.0 113.283 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -70.45 0.1 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.607 1.563 . . . . 0.0 112.58 175.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.745 ' HB3' HG11 ' A' ' 18' ' ' VAL . . . -73.42 -18.71 61.11 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.09 -46.63 44.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.836 1.254 . . . . 0.0 111.293 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.9 t0 46.06 33.27 1.64 Allowed 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.012 1.725 . . . . 0.0 113.802 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.23 -167.49 1.48 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.406 2.283 . . . . 0.0 111.811 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.5 m -67.39 158.22 32.21 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.79 1.236 . . . . 0.0 111.648 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -54.28 -29.45 47.31 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.212 -0.93 . . . . 0.0 112.751 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -27.67 8.56 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 125.399 1.48 . . . . 0.0 112.344 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.1 -59.14 5.05 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.535 1.516 . . . . 0.0 110.252 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.13 -42.28 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.72 0.808 . . . . 0.0 111.788 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.95 -46.89 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.483 0.713 . . . . 0.0 111.44 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -74.74 -32.56 62.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.883 -1.056 . . . . 0.0 112.78 175.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.49 -25.74 17.73 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.3 1.409 . . . . 0.0 112.774 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.654 HD22 ' CE2' ' A' ' 110' ' ' PHE . 86.7 mt -53.24 -36.91 61.6 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.279 0.945 . . . . 0.0 111.993 174.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -63.49 -34.41 77.71 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mtmm -81.55 -29.17 33.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.333 1.853 . . . . 0.0 112.525 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 25' ' ' LEU . 61.7 mt -77.61 -62.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.021 1.328 . . . . 0.0 109.961 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.654 ' CE2' HD22 ' A' ' 106' ' ' LEU . 3.2 m-85 -86.28 8.41 21.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.046 1.738 . . . . 0.0 113.3 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 48.24 56.55 7.25 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.504 2.322 . . . . 0.0 113.374 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 mt -94.1 -35.78 12.39 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.29 1.436 . . . . 0.0 112.797 -175.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.737 2.015 . . . . 0.0 111.471 -179.198 . . . . . . . . 0 0 . 1 stop_ save_